SMIRKS
[N:43]([C:44]1:[N:45]:[C:46]([H:83]):[N:47]:[C:48]2:[C:49]:1:[N:50]:[C:51]([H:84]):[N:52]:2[C@:53]1([H:85])[O:54][C@@:55]([C:56]([O:57][P:58](=[O:59])([O:60][H:86])[O:61][P:62](=[O:63])([O:64][H:87])[O:65][P:66](=[O:67])([O:68][H:88])[O:69][H:89])([H:90])[H:91])([H:92])[C@:70]([O:71][H:93])([H:94])[C@:72]1([O:73][H:95])[H:96])([H:97])[H:98].[N:1](=[C:2]1:[N:3]([H:99]):[C:4]2:[C:5](:[C:6](=[O:7]):[N:8]:1[H:100])[C:9]([H:101])([H:102])[C:10]([C:11]([C:12]([C:13]1:[C:14]([H:103]):[C:15]([H:104]):[C:16]([C:17](=[O:18])[N:19]([C@@:20]([C:21]([C:22]([C:23](=[O:24])[O:25][H:105])([H:106])[H:107])([H:108])[H:109])([C:26](=[O:27])[O:28][H:110])[H:111])[H:112]):[C:29]([H:113]):[C:30]:1[H:114])([H:115])[H:116])([H:117])[H:118])([H:119])[C:31]([H:120])([H:121])[N:32]2[H:122])[H:123]>>[H]OC(=O)C([H])([H])C([H])([H])[C@@]([H])(C(=O)O[H])N([H])[C:23]([C:22]([C:21]([C@:20]([N:19]([C:17]([C:16]1:[C:15]([H:104]):[C:14]([H:103]):[C:13]([C:12]([C:11]([C:10]2([H:119])[C:9]([H:101])([H:102])[C:5]3:[C:4](:[N:3]([H:99]):[C:2](=[N:1][H:123]):[N:8]([H:100]):[C:6]:3=[O:7])[N:32]([H:122])[C:31]2([H:120])[H:121])([H:117])[H:118])([H:115])[H:116]):[C:30]([H:114]):[C:29]:1[H:113])=[O:18])[H:112])([C:26](=[O:27])[O:28][H:110])[H:111])([H:108])[H:109])([H:106])[H:107])=[O:24].[O:25]([P:62]([O:61][P:58]([O:57][C:56]([C@@:55]1([H:92])[O:54][C@:53]([N:52]2:[C:48]3:[N:47]:[C:46]([H:83]):[N:45]:[C:44]([N:43]([H:97])[H:98]):[C:49]:3:[N:50]:[C:51]:2[H:84])([H:85])[C@@:72]([O:73][H:95])([H:96])[C@@:70]1([O:71][H:93])[H:94])([H:90])[H:91])(=[O:59])[O:60][H:86])(=[O:63])[O:64][H:87])[H:105].[H][O:65][P:66](=[O:67])([O:68][H:88])[O:69][H:89]
Derived Operators
EVODEX.1-F179 - Elemental Balance
| O | 4 |
| C | 5 |
| N | 1 |
| H | 9 |
EVODEX.1-M35 - Mass Difference
147.05317
EVODEX.1-E867 - Reaction Operator E
[#6:27](-[#6@@:25])(=[#8:28])-[#8:29]-[H:87].([#8:58]-[#15:59](=[#8:60])(-[#8:61])-[#8:62]-[#15:63].[#8:68]-[#6@@:67](-[#6@@:52])(-[H:116])-[#6@:69](-[#6@:50])(-[#8:70])-[H:118])>>[#6:27](-[#6@@:25])(=[#8:28])-[#7](-[#6@@](-[#6](-[#6](-[#6](=[#8])-[#8]-[H])(-[H])-[H])(-[H])-[H])(-[#6](=[#8])-[#8]-[H])-[H])-[H].([#8:29](-[#15:59](-[#8:58])(=[#8:60])-[#8:61])-[H:87].[#8:70]-[#6@:69](-[#6@:50])(-[H:118])-[#6@@:67](-[#6@@:52])(-[#8:68])-[H:116]).[#8:62](-[#15:63])-[H]
EVODEX.1-C935 - Reaction Operator C
([#15:66]-[#8:69].[#6@:74]-[#6@:76]).([#6:27]-[#8:29].[#6@@:24])>>([H]-[#8]-[#6](=[#8])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6@@](-[H])(-[#6](=[#8])-[#8]-[H])-[#7](-[H])-[#6:27].[#6@:24]).([#8:29]-[#15:66].[#6@@:76]-[#6@@:74]).[H]-[#8:69]
EVODEX.1-N1171 - Reaction Operator N
([#8:65]-[#15:66](=[#8:67])(-[#8:68])-[#8:69]-[#15:70].[#8:75]-[#6@@:74](-[#6@@:59])(-[H:98])-[#6@:76](-[#6@:57])(-[#8:77])-[H:100]).[#7:23]-[#6@@:24](-[#6:25]-[#6:26]-[#6:27](=[#8:28])-[#8:29]-[H:108])(-[#6:30])-[H:114]>>[H]-[#8]-[#6](=[#8])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6@@](-[H])(-[#6](=[#8])-[#8]-[H])-[#7](-[H])-[#6:27](-[#6:26]-[#6:25]-[#6@:24](-[#7:23])(-[#6:30])-[H:114])=[#8:28].([#8:29](-[#15:66](-[#8:65])(=[#8:67])-[#8:68])-[H:108].[#8:77]-[#6@:76](-[#6@:57])(-[H:100])-[#6@@:74](-[#6@@:59])(-[#8:75])-[H:98]).[H]-[#8:69]-[#15:70]
EVODEX.1-Em24 - Reaction Operator Em
[#6:40]-[#6:42](=[#8:43])-[#8:44].[#8:71]-[#15:72](=[#8:73])(-[#8:74])-[#8:75]-[#15:76]>>[#6]-[#7](-[H])-[#6:42](-[#6:40])=[#8:43].[#8:44]-[#15:72](-[#8:71])(=[#8:73])-[#8:74].[H]-[#8:75]-[#15:76]
EVODEX.1-Cm38 - Reaction Operator Cm
[#6:42]-[#8:44].[#15:72]-[#8:75]>>[#7]-[#6:42].[#8:44]-[#15:72].[H]-[#8:75]
EVODEX.1-Nm24 - Reaction Operator Nm
[#6:40]-[#6:42](=[#8:43])-[#8:44].[#8:71]-[#15:72](=[#8:73])(-[#8:74])-[#8:75]-[#15:76]>>[#6]-[#7](-[H])-[#6:42](-[#6:40])=[#8:43].[#8:44]-[#15:72](-[#8:71])(=[#8:73])-[#8:74].[H]-[#8:75]-[#15:76]
Source Full Reactions
EVODEX.1-R7613
[H][N:33]([C@@:34]([C:35]([C:36]([C:37](=[O:38])[O:39][H:74])([H:75])[H:76])([H:77])[H:78])([C:40](=[O:41])[O:42][H:79])[H:80])[H:81].[N:43]([C:44]1:[N:45]:[C:46]([H:83]):[N:47]:[C:48]2:[C:49]:1:[N:50]:[C:51]([H:84]):[N:52]:2[C@:53]1([H:85])[O:54][C@@:55]([C:56]([O:57][P:58](=[O:59])([O:60][H:86])[O:61][P:62](=[O:63])([O:64][H:87])[O:65][P:66](=[O:67])([O:68][H:88])[O:69][H:89])([H:90])[H:91])([H:92])[C@:70]([O:71][H:93])([H:94])[C@:72]1([O:73][H:95])[H:96])([H:97])[H:98].[N:1](=[C:2]1:[N:3]([H:99]):[C:4]2:[C:5](:[C:6](=[O:7]):[N:8]:1[H:100])[C:9]([H:101])([H:102])[C:10]([C:11]([C:12]([C:13]1:[C:14]([H:103]):[C:15]([H:104]):[C:16]([C:17](=[O:18])[N:19]([C@@:20]([C:21]([C:22]([C:23](=[O:24])[O:25][H:105])([H:106])[H:107])([H:108])[H:109])([C:26](=[O:27])[O:28][H:110])[H:111])[H:112]):[C:29]([H:113]):[C:30]:1[H:114])([H:115])[H:116])([H:117])[H:118])([H:119])[C:31]([H:120])([H:121])[N:32]2[H:122])[H:123]>>[N:1](=[C:2]1:[N:3]([H:99]):[C:4]2:[C:5](:[C:6](=[O:7]):[N:8]:1[H:100])[C:9]([H:101])([H:102])[C:10]([C:11]([C:12]([C:13]1:[C:14]([H:103]):[C:15]([H:104]):[C:16]([C:17](=[O:18])[N:19]([C@@:20]([C:21]([C:22]([C:23](=[O:24])[N:33]([C@@:34]([C:35]([C:36]([C:37](=[O:38])[O:39][H:74])([H:75])[H:76])([H:77])[H:78])([C:40](=[O:41])[O:42][H:79])[H:80])[H:81])([H:106])[H:107])([H:108])[H:109])([C:26](=[O:27])[O:28][H:110])[H:111])[H:112]):[C:29]([H:113]):[C:30]:1[H:114])([H:115])[H:116])([H:117])[H:118])([H:119])[C:31]([H:120])([H:121])[N:32]2[H:122])[H:123].[O:25]([P:62]([O:61][P:58]([O:57][C:56]([C@@:55]1([H:92])[O:54][C@:53]([N:52]2:[C:48]3:[N:47]:[C:46]([H:83]):[N:45]:[C:44]([N:43]([H:97])[H:98]):[C:49]:3:[N:50]:[C:51]:2[H:84])([H:85])[C@@:72]([O:73][H:95])([H:96])[C@@:70]1([O:71][H:93])[H:94])([H:90])[H:91])(=[O:59])[O:60][H:86])(=[O:63])[O:64][H:87])[H:105].[H][O:65][P:66](=[O:67])([O:68][H:88])[O:69][H:89]