SMIRKS
[O:19]=[C:20]1:[C:21]([H:61]):[C:22]([H:62]):[N:23]([C@:24]2([H:63])[O:25][C@@:26]([C:27]([O:28][P:29](=[O:30])([O:31][H:64])[O:32][P:33](=[O:34])([O:35][H:65])[O:36][P:37](=[O:38])([O:39][H:66])[O:40][H:67])([H:68])[H:69])([H:70])[C@:41]([O:42][H:71])([H:72])[C@:43]2([O:44][H:73])[H:74]):[C:45](=[O:46]):[N:47]:1[H:75]>>[H]O[C@@]1([H])C([H])([H])[C@]([H])(N2:C([H]):N:C3:C(N([H])[H]):N:C([H]):N:C:3:2)O[C@]1([H])C([H])([H])O[P:37](=[O:38])([O:39][H:66])[O:40][H:67].[H][O:36][P:33]([O:32][P:29]([O:28][C:27]([C@@:26]1([H:70])[O:25][C@:24]([N:23]2:[C:22]([H:62]):[C:21]([H:61]):[C:20](=[O:19]):[N:47]([H:75]):[C:45]:2=[O:46])([H:63])[C@@:43]([O:44][H:73])([H:74])[C@@:41]1([O:42][H:71])[H:72])([H:68])[H:69])(=[O:30])[O:31][H:64])(=[O:34])[O:35][H:65]
Derived Operators
EVODEX.1-F70 - Elemental Balance
| O | 3 |
| C | 10 |
| N | 5 |
| H | 13 |
EVODEX.1-M217 - Mass Difference
251.10199
EVODEX.1-E617 - Reaction Operator E
[#15:24]-[#8:27]-[#15:28](=[#8:29])(-[#8:30])-[#8:31]>>[#15:24]-[#8:27]-[H].[#15:28](=[#8:29])(-[#8:30])(-[#8:31])-[#8]-[#6](-[#6@]1(-[H])-[#6@](-[#8]-[H])(-[H])-[#6](-[H])(-[H])-[#6@@](-[#7]2:[#6]3:[#7]:[#6](-[H]):[#7]:[#6](-[#7](-[H])-[H]):[#6]:3:[#7]:[#6]:2-[H])(-[H])-[#8]-1)(-[H])-[H]
EVODEX.1-C972 - Reaction Operator C
([#8:23]-[#15:24].[#6@@:13]-[#6@:28])>>([H]-[#8:23].[#6@:13]-[#6@@:28]).[H]-[#8]-[#6@@]1(-[H])-[#6](-[H])(-[H])-[#6@](-[H])(-[#7]2:[#6](-[H]):[#7]:[#6]3:[#6](-[#7](-[H])-[H]):[#7]:[#6](-[H]):[#7]:[#6]:2:3)-[#8]-[#6@]-1(-[H])-[#6](-[H])(-[H])-[#8]-[#15:24]
EVODEX.1-N1320 - Reaction Operator N
([#15:20]-[#8:23]-[#15:24](=[#8:25])(-[#8:26])-[#8:27].[#8:29]-[#6@@:28](-[#6@@:13])(-[H:61])-[#6@:30](-[#6@:11])(-[#8:31])-[H:63])>>([H]-[#8:23]-[#15:20].[#8:31]-[#6@:30](-[#6@:11])(-[H:63])-[#6@@:28](-[#6@@:13])(-[#8:29])-[H:61]).[H]-[#8]-[#6@@]1(-[H])-[#6](-[H])(-[H])-[#6@](-[H])(-[#7]2:[#6](-[H]):[#7]:[#6]3:[#6](-[#7](-[H])-[H]):[#7]:[#6](-[H]):[#7]:[#6]:2:3)-[#8]-[#6@]-1(-[H])-[#6](-[H])(-[H])-[#8]-[#15:24](=[#8:25])(-[#8:26])-[#8:27]
EVODEX.1-Em9 - Reaction Operator Em
[#15:11]-[#8:14]-[#15:15](=[#8:16])(-[#8:17])-[#8:18]>>[#6]-[#8]-[#15:15](=[#8:16])(-[#8:17])-[#8:18].[H]-[#8:14]-[#15:11]
EVODEX.1-Nm10 - Reaction Operator Nm
[#15:11]-[#8:14]-[#15:15](=[#8:16])(-[#8:17])-[#8:18]>>[#6]-[#8]-[#15:15](=[#8:16])(-[#8:17])-[#8:18].[H]-[#8:14]-[#15:11]
Source Full Reactions
EVODEX.1-R3892
[H][O:17][C:16]([C@:15]1([H:58])[C@:13]([O:14][H:53])([H:54])[C:12]([H:51])([H:52])[C@@:11]([N:10]2:[C:6]3:[N:5]:[C:4]([H:48]):[N:3]:[C:2]([N:1]([H:59])[H:60]):[C:7]:3:[N:8]:[C:9]:2[H:49])([H:50])[O:18]1)([H:56])[H:57].[O:19]=[C:20]1:[C:21]([H:61]):[C:22]([H:62]):[N:23]([C@:24]2([H:63])[O:25][C@@:26]([C:27]([O:28][P:29](=[O:30])([O:31][H:64])[O:32][P:33](=[O:34])([O:35][H:65])[O:36][P:37](=[O:38])([O:39][H:66])[O:40][H:67])([H:68])[H:69])([H:70])[C@:41]([O:42][H:71])([H:72])[C@:43]2([O:44][H:73])[H:74]):[C:45](=[O:46]):[N:47]:1[H:75]>>[N:1]([C:2]1:[N:3]:[C:4]([H:48]):[N:5]:[C:6]2:[C:7]:1:[N:8]:[C:9]([H:49]):[N:10]:2[C@@:11]1([H:50])[C:12]([H:51])([H:52])[C@@:13]([O:14][H:53])([H:54])[C@:15]([C:16]([O:17][P:37](=[O:38])([O:39][H:66])[O:40][H:67])([H:56])[H:57])([H:58])[O:18]1)([H:59])[H:60].[H][O:36][P:33]([O:32][P:29]([O:28][C:27]([C@@:26]1([H:70])[O:25][C@:24]([N:23]2:[C:22]([H:62]):[C:21]([H:61]):[C:20](=[O:19]):[N:47]([H:75]):[C:45]:2=[O:46])([H:63])[C@@:43]([O:44][H:73])([H:74])[C@@:41]1([O:42][H:71])[H:72])([H:68])[H:69])(=[O:30])[O:31][H:64])(=[O:34])[O:35][H:65]