SMIRKS
[O:17]=[C:18]1:[C:19]([H:58]):[C:20]([H:59]):[N:21]([C@@:22]2([H:60])[C:23]([H:61])([H:62])[C@@:24]([O:25][H:63])([H:64])[C@:26]([C:27]([O:28][P:29](=[O:30])([O:31][H:65])[O:32][P:33](=[O:34])([O:35][H:66])[O:36][P:37](=[O:38])([O:39][H:67])[O:40][H:68])([H:69])[H:70])([H:71])[O:41]2):[C:42](=[O:43]):[N:44]:1[H:72]>>[H]O[C@@]1([H])C([H])([H])[C@]([H])(N2:C([H]):C([H]):C(N([H])[H]):N:C:2=O)O[C@]1([H])C([H])([H])O[P:37](=[O:38])([O:39][H:67])[O:40][H:68].[H][O:36][P:33]([O:32][P:29]([O:28][C:27]([C@:26]1([H:71])[C@:24]([O:25][H:63])([H:64])[C:23]([H:61])([H:62])[C@@:22]([N:21]2:[C:20]([H:59]):[C:19]([H:58]):[C:18](=[O:17]):[N:44]([H:72]):[C:42]:2=[O:43])([H:60])[O:41]1)([H:69])[H:70])(=[O:30])[O:31][H:65])(=[O:34])[O:35][H:66]
Derived Operators
EVODEX.1-F407 - Elemental Balance
| O | 4 |
| C | 9 |
| N | 3 |
| H | 13 |
EVODEX.1-M398 - Mass Difference
227.09069
EVODEX.1-E1213 - Reaction Operator E
[#8:17]=[#15:18](-[#8:19])(-[#8:20])-[#8:21]-[#15:22]>>[#7](-[#6]1:[#6](-[H]):[#6](-[H]):[#7](-[#6@@]2(-[H])-[#6](-[H])(-[H])-[#6@@](-[#8]-[H])(-[H])-[#6@](-[#6](-[#8]-[#15:18](=[#8:17])(-[#8:19])-[#8:20])(-[H])-[H])(-[H])-[#8]-2):[#6](=[#8]):[#7]:1)(-[H])-[H].[#8:21](-[#15:22])-[H]
EVODEX.1-C1092 - Reaction Operator C
([#8:41]-[#15:42].[#6@@:29])>>([H]-[#8:41].[#6@:29]).[H]-[#8]-[#6@@]1(-[H])-[#6](-[H])(-[H])-[#6@](-[H])(-[#7]2:[#6](-[H]):[#6](-[H]):[#6](-[#7](-[H])-[H]):[#7]:[#6]:2=[#8])-[#8]-[#6@]-1(-[H])-[#6](-[H])(-[H])-[#8]-[#15:42]
EVODEX.1-N1339 - Reaction Operator N
([#6:28]-[#6@@:29](-[#8:30])(-[H:53])-[#6@:31].[#15:38]-[#8:41]-[#15:42](=[#8:43])(-[#8:44])-[#8:45])>>([H]-[#8:41]-[#15:38].[#8:30]-[#6@@:29](-[#6@:31])(-[H:53])-[#6:28]).[H]-[#8]-[#6@@]1(-[H])-[#6](-[H])(-[H])-[#6@](-[H])(-[#7]2:[#6](-[H]):[#6](-[H]):[#6](-[#7](-[H])-[H]):[#7]:[#6]:2=[#8])-[#8]-[#6@]-1(-[H])-[#6](-[H])(-[H])-[#8]-[#15:42](=[#8:43])(-[#8:44])-[#8:45]
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-R4118
[H][O:12][C:11]([C@:10]1([H:55])[C@:8]([O:9][H:50])([H:51])[C:7]([H:48])([H:49])[C@@:6]([N:5]2:[C:4]([H:46]):[C:3]([H:45]):[C:2]([N:1]([H:56])[H:57]):[N:16]:[C:14]:2=[O:15])([H:47])[O:13]1)([H:53])[H:54].[O:17]=[C:18]1:[C:19]([H:58]):[C:20]([H:59]):[N:21]([C@@:22]2([H:60])[C:23]([H:61])([H:62])[C@@:24]([O:25][H:63])([H:64])[C@:26]([C:27]([O:28][P:29](=[O:30])([O:31][H:65])[O:32][P:33](=[O:34])([O:35][H:66])[O:36][P:37](=[O:38])([O:39][H:67])[O:40][H:68])([H:69])[H:70])([H:71])[O:41]2):[C:42](=[O:43]):[N:44]:1[H:72]>>[N:1]([C:2]1:[C:3]([H:45]):[C:4]([H:46]):[N:5]([C@@:6]2([H:47])[C:7]([H:48])([H:49])[C@@:8]([O:9][H:50])([H:51])[C@:10]([C:11]([O:12][P:37](=[O:38])([O:39][H:67])[O:40][H:68])([H:53])[H:54])([H:55])[O:13]2):[C:14](=[O:15]):[N:16]:1)([H:56])[H:57].[H][O:36][P:33]([O:32][P:29]([O:28][C:27]([C@:26]1([H:71])[C@:24]([O:25][H:63])([H:64])[C:23]([H:61])([H:62])[C@@:22]([N:21]2:[C:20]([H:59]):[C:19]([H:58]):[C:18](=[O:17]):[N:44]([H:72]):[C:42]:2=[O:43])([H:60])[O:41]1)([H:69])[H:70])(=[O:30])[O:31][H:65])(=[O:34])[O:35][H:66]