SMIRKS
[N:24]([C:25]1:[N:26]:[C:27]([H:64]):[N:28]:[C:29]2:[C:30]:1:[N:31]:[C:32]([H:65]):[N:33]:2[C@:34]1([H:66])[O:35][C@@:36]([C:37]([O:38][P:39](=[O:40])([O:41][H:67])[O:42][P:43](=[O:44])([O:45][H:68])[O:46][P:47](=[O:48])([O:49][H:69])[O:50][H:70])([H:71])[H:72])([H:73])[C@:51]([O:52][H:74])([H:75])[C@:53]1([O:54][H:76])[H:77])([H:78])[H:79].[N:1](=[C:2]([N:3]([H:80])[H:81])[N:4]([C:5]([C:6]([C:7]([C@:8]([N:9]([H:82])[H:83])([C:10](=[O:11])[O:12][H:84])[H:85])([H:86])[H:87])([H:88])[H:89])([H:90])[H:91])[H:92])[H:93]>>[H]OC(=O)[C@@]([H])(N([H])[C:10]([C@:8]([C:7]([C:6]([C:5]([N:4]([C:2](=[N:1][H:93])[N:3]([H:80])[H:81])[H:92])([H:90])[H:91])([H:88])[H:89])([H:86])[H:87])([N:9]([H:82])[H:83])[H:85])=[O:11])C([H])([H])C1:C([H]):N:C([H]):N:1[H].[O:12]([P:43]([O:42][P:39]([O:38][C:37]([C@@:36]1([H:73])[O:35][C@:34]([N:33]2:[C:29]3:[N:28]:[C:27]([H:64]):[N:26]:[C:25]([N:24]([H:78])[H:79]):[C:30]:3:[N:31]:[C:32]:2[H:65])([H:66])[C@@:53]([O:54][H:76])([H:77])[C@@:51]1([O:52][H:74])[H:75])([H:71])[H:72])(=[O:40])[O:41][H:67])(=[O:44])[O:45][H:68])[H:84].[H][O:46][P:47](=[O:48])([O:49][H:69])[O:50][H:70]
Derived Operators
EVODEX.1-F210 - Elemental Balance
| O | 2 |
| C | 6 |
| N | 3 |
| H | 9 |
EVODEX.1-M71 - Mass Difference
155.06957
EVODEX.1-E916 - Reaction Operator E
[#6:8](-[#6@:6])(=[#8:9])-[#8:10]-[H:64].([#8:40]-[#15:41](=[#8:42])(-[#8:43])-[#8:44]-[#15:45].[#8:50]-[#6@@:49](-[#6@@:34])(-[H:87])-[#6@:51](-[#6@:32])(-[#8:52])-[H:89])>>[#6:8](-[#6@:6])(=[#8:9])-[#7](-[#6@@](-[#6](-[#6]1:[#6](-[H]):[#7](-[H]):[#6](-[H]):[#7]:1)(-[H])-[H])(-[#6](=[#8])-[#8]-[H])-[H])-[H].([#8:10](-[#15:41](-[#8:40])(=[#8:42])-[#8:43])-[H:64].[#8:52]-[#6@:51](-[#6@:32])(-[H:89])-[#6@@:49](-[#6@@:34])(-[#8:50])-[H:87]).[#8:44](-[#15:45])-[H]
EVODEX.1-C795 - Reaction Operator C
[#6:22]-[#8:24].([#15:44]-[#8:47].[#6@:52]-[#6@:54])>>[H]-[#8]-[#6](=[#8])-[#6@@](-[H])(-[#7](-[H])-[#6:22])-[#6](-[H])(-[H])-[#6]1:[#7]:[#6](-[H]):[#7](-[H]):[#6]:1-[H].([#8:24]-[#15:44].[#6@@:54]-[#6@@:52]).[H]-[#8:47]
EVODEX.1-N1006 - Reaction Operator N
[#6:22](-[#6@@:13])(=[#8:23])-[#8:24]-[H:63].([#8:43]-[#15:44](=[#8:45])(-[#8:46])-[#8:47]-[#15:48].[#8:53]-[#6@@:52](-[#6@@:37])(-[H:87])-[#6@:54](-[#6@:35])(-[#8:55])-[H:89])>>[H]-[#8]-[#6](=[#8])-[#6@@](-[H])(-[#7](-[H])-[#6:22](-[#6@@:13])=[#8:23])-[#6](-[H])(-[H])-[#6]1:[#7]:[#6](-[H]):[#7](-[H]):[#6]:1-[H].([#8:24](-[#15:44](-[#8:43])(=[#8:45])-[#8:46])-[H:63].[#8:55]-[#6@:54](-[#6@:35])(-[H:89])-[#6@@:52](-[#6@@:37])(-[#8:53])-[H:87]).[H]-[#8:47]-[#15:48]
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-R7747
[H][N:13]([C@@:14]([C:15]([C:16]1:[C:17]([H:55]):[N:18]:[C:19]([H:56]):[N:20]:1[H:57])([H:58])[H:59])([C:21](=[O:22])[O:23][H:60])[H:61])[H:62].[N:24]([C:25]1:[N:26]:[C:27]([H:64]):[N:28]:[C:29]2:[C:30]:1:[N:31]:[C:32]([H:65]):[N:33]:2[C@:34]1([H:66])[O:35][C@@:36]([C:37]([O:38][P:39](=[O:40])([O:41][H:67])[O:42][P:43](=[O:44])([O:45][H:68])[O:46][P:47](=[O:48])([O:49][H:69])[O:50][H:70])([H:71])[H:72])([H:73])[C@:51]([O:52][H:74])([H:75])[C@:53]1([O:54][H:76])[H:77])([H:78])[H:79].[N:1](=[C:2]([N:3]([H:80])[H:81])[N:4]([C:5]([C:6]([C:7]([C@:8]([N:9]([H:82])[H:83])([C:10](=[O:11])[O:12][H:84])[H:85])([H:86])[H:87])([H:88])[H:89])([H:90])[H:91])[H:92])[H:93]>>[N:1](=[C:2]([N:3]([H:80])[H:81])[N:4]([C:5]([C:6]([C:7]([C@:8]([N:9]([H:82])[H:83])([C:10](=[O:11])[N:13]([C@@:14]([C:15]([C:16]1:[C:17]([H:55]):[N:18]:[C:19]([H:56]):[N:20]:1[H:57])([H:58])[H:59])([C:21](=[O:22])[O:23][H:60])[H:61])[H:62])[H:85])([H:86])[H:87])([H:88])[H:89])([H:90])[H:91])[H:92])[H:93].[O:12]([P:43]([O:42][P:39]([O:38][C:37]([C@@:36]1([H:73])[O:35][C@:34]([N:33]2:[C:29]3:[N:28]:[C:27]([H:64]):[N:26]:[C:25]([N:24]([H:78])[H:79]):[C:30]:3:[N:31]:[C:32]:2[H:65])([H:66])[C@@:53]([O:54][H:76])([H:77])[C@@:51]1([O:52][H:74])[H:75])([H:71])[H:72])(=[O:40])[O:41][H:67])(=[O:44])[O:45][H:68])[H:84].[H][O:46][P:47](=[O:48])([O:49][H:69])[O:50][H:70]