SMIRKS
[N:21]([C:22]1:[N:23]:[C:24]([H:59]):[N:25]:[C:26]2:[C:27]:1:[N:28]:[C:29]([H:60]):[N:30]:2[C@:31]1([H:61])[O:32][C@@:33]([C:34]([O:35][P:36](=[O:37])([O:38][H:62])[O:39][P:40](=[O:41])([O:42][H:63])[O:43][P:44](=[O:45])([O:46][H:64])[O:47][H:65])([H:66])[H:67])([H:68])[C@:48]([O:49][H:69])([H:70])[C@:50]1([O:51][H:71])[H:72])([H:73])[H:74].[N:8]([C@@:9]([C:10]([C:11]1:[C:12]([H:75]):[C:13]([H:76]):[C:14]([O:15][H:77]):[C:16]([H:78]):[C:17]:1[H:79])([H:80])[H:81])([C:18](=[O:19])[O:20][H:82])[H:83])([H:84])[H:85]>>[H]OC(=O)[C@@]([H])(N([H])[C:18]([C@@:9]([N:8]([H:84])[H:85])([C:10]([C:11]1:[C:12]([H:75]):[C:13]([H:76]):[C:14]([O:15][H:77]):[C:16]([H:78]):[C:17]:1[H:79])([H:80])[H:81])[H:83])=[O:19])C([H])([H])O[H].[O:20]([P:40]([O:39][P:36]([O:35][C:34]([C@@:33]1([H:68])[O:32][C@:31]([N:30]2:[C:26]3:[N:25]:[C:24]([H:59]):[N:23]:[C:22]([N:21]([H:73])[H:74]):[C:27]:3:[N:28]:[C:29]:2[H:60])([H:61])[C@@:50]([O:51][H:71])([H:72])[C@@:48]1([O:49][H:69])[H:70])([H:66])[H:67])(=[O:37])[O:38][H:62])(=[O:41])[O:42][H:63])[H:82].[H][O:43][P:44](=[O:45])([O:46][H:64])[O:47][H:65]
Derived Operators
EVODEX.1-F269 - Elemental Balance
| O | 3 |
| C | 3 |
| N | 1 |
| H | 7 |
EVODEX.1-M140 - Mass Difference
105.04261
EVODEX.1-E1015 - Reaction Operator E
[#6:42](-[#6@:40])(=[#8:43])-[#8:44]-[H:107].([#8:70]-[#15:71](=[#8:72])(-[#8:73])-[#8:74]-[#15:75].[#8:80]-[#6@@:79](-[#6@@:64])(-[H:132])-[#6@:81](-[#6@:62])(-[#8:82])-[H:134])>>[#6:42](-[#6@:40])(=[#8:43])-[#7](-[#6](-[#6](-[#8]-[H])(-[H])-[H])(-[#6](=[#8])-[#8]-[H])-[H])-[H].([#8:44](-[#15:71](-[#8:70])(=[#8:72])-[#8:73])-[H:107].[#8:82]-[#6@:81](-[#6@:62])(-[H:134])-[#6@@:79](-[#6@@:64])(-[#8:80])-[H:132]).[#8:74](-[#15:75])-[H]
EVODEX.1-C940 - Reaction Operator C
([#15:40]-[#8:43].[#6@:48]-[#6@:50]).[#6:18]-[#8:20]>>[H]-[#8]-[#6](=[#8])-[#6@@](-[H])(-[#7](-[H])-[#6:18])-[#6](-[H])(-[H])-[#8]-[H].([#8:20]-[#15:40].[#6@@:50]-[#6@@:48]).[H]-[#8:43]
EVODEX.1-N1177 - Reaction Operator N
([#8:39]-[#15:40](=[#8:41])(-[#8:42])-[#8:43]-[#15:44].[#8:49]-[#6@@:48](-[#6@@:33])(-[H:70])-[#6@:50](-[#6@:31])(-[#8:51])-[H:72]).[#6:18](-[#6@@:9])(=[#8:19])-[#8:20]-[H:82]>>[H]-[#8]-[#6](=[#8])-[#6@@](-[H])(-[#7](-[H])-[#6:18](-[#6@@:9])=[#8:19])-[#6](-[H])(-[H])-[#8]-[H].([#8:20](-[#15:40](-[#8:39])(=[#8:41])-[#8:42])-[H:82].[#8:51]-[#6@:50](-[#6@:31])(-[H:72])-[#6@@:48](-[#6@@:33])(-[#8:49])-[H:70]).[H]-[#8:43]-[#15:44]
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-R7843
[H][N:1]([C@@:2]([C:3]([O:4][H:52])([H:53])[H:54])([C:5](=[O:6])[O:7][H:55])[H:56])[H:57].[N:21]([C:22]1:[N:23]:[C:24]([H:59]):[N:25]:[C:26]2:[C:27]:1:[N:28]:[C:29]([H:60]):[N:30]:2[C@:31]1([H:61])[O:32][C@@:33]([C:34]([O:35][P:36](=[O:37])([O:38][H:62])[O:39][P:40](=[O:41])([O:42][H:63])[O:43][P:44](=[O:45])([O:46][H:64])[O:47][H:65])([H:66])[H:67])([H:68])[C@:48]([O:49][H:69])([H:70])[C@:50]1([O:51][H:71])[H:72])([H:73])[H:74].[N:8]([C@@:9]([C:10]([C:11]1:[C:12]([H:75]):[C:13]([H:76]):[C:14]([O:15][H:77]):[C:16]([H:78]):[C:17]:1[H:79])([H:80])[H:81])([C:18](=[O:19])[O:20][H:82])[H:83])([H:84])[H:85]>>[N:1]([C@@:2]([C:3]([O:4][H:52])([H:53])[H:54])([C:5](=[O:6])[O:7][H:55])[H:56])([C:18]([C@@:9]([N:8]([H:84])[H:85])([C:10]([C:11]1:[C:12]([H:75]):[C:13]([H:76]):[C:14]([O:15][H:77]):[C:16]([H:78]):[C:17]:1[H:79])([H:80])[H:81])[H:83])=[O:19])[H:57].[O:20]([P:40]([O:39][P:36]([O:35][C:34]([C@@:33]1([H:68])[O:32][C@:31]([N:30]2:[C:26]3:[N:25]:[C:24]([H:59]):[N:23]:[C:22]([N:21]([H:73])[H:74]):[C:27]:3:[N:28]:[C:29]:2[H:60])([H:61])[C@@:50]([O:51][H:71])([H:72])[C@@:48]1([O:49][H:69])[H:70])([H:66])[H:67])(=[O:37])[O:38][H:62])(=[O:41])[O:42][H:63])[H:82].[H][O:43][P:44](=[O:45])([O:46][H:64])[O:47][H:65]