SMIRKS
[O:20]=[C:21]1:[C:22]([H:53]):[C:23]([H:54]):[N:24]([C@:25]2([H:55])[O:26][C@@:27]([C:28]([O:29][P:30](=[O:31])([O:32][H:56])[O:33][H:57])([H:58])[H:59])([H:60])[C@:34]([O:35][H:61])([H:62])[C@:36]2([O:37][H:63])[H:64]):[C:38](=[O:39]):[N:40]:1[H:65]>>[H]O[C@@]1([H])[C@@]([H])(O[H])[C@]([H])(N2:C([H]):N:C3:C(=O):N([H]):C([H]):N:C:3:2)O[C@]1([H])C([H])([H])O[P:30](=[O:31])([O:32][H:56])[O:33][H:57].[H][O:29][C:28]([C@@:27]1([H:60])[O:26][C@:25]([N:24]2:[C:23]([H:54]):[C:22]([H:53]):[C:21](=[O:20]):[N:40]([H:65]):[C:38]:2=[O:39])([H:55])[C@@:36]([O:37][H:63])([H:64])[C@@:34]1([O:35][H:61])[H:62])([H:58])[H:59]
Derived Operators
EVODEX.1-F444 - Elemental Balance
| O | 5 |
| C | 10 |
| N | 4 |
| H | 12 |
EVODEX.1-M427 - Mass Difference
268.08086
EVODEX.1-E1253 - Reaction Operator E
[#8:1]=[#15:2](-[#8:3])(-[#8:4])-[#8:5]-[#6:6]>>[#8:1]=[#15:2](-[#8:3])(-[#8:4])-[#8]-[#6](-[#6@@]1(-[H])-[#8]-[#6@](-[#7]2:[#6]3:[#7]:[#6](-[H]):[#7](-[H]):[#6](=[#8]):[#6]:3:[#7]:[#6]:2-[H])(-[H])-[#6@@](-[#8]-[H])(-[H])-[#6@@]-1(-[#8]-[H])-[H])(-[H])-[H].[#8:5](-[#6:6])-[H]
EVODEX.1-C1093 - Reaction Operator C
([#8:29]-[#15:30].[#6@:34]-[#6@:36])>>[H]-[#8]-[#6@@]1(-[H])-[#6@@](-[H])(-[#8]-[H])-[#6@](-[H])(-[#7]2:[#6](-[H]):[#7]:[#6]3:[#6](=[#8]):[#7](-[H]):[#6](-[H]):[#7]:[#6]:2:3)-[#8]-[#6@]-1(-[H])-[#6](-[H])(-[H])-[#8]-[#15:30].([H]-[#8:29].[#6@@:36]-[#6@@:34])
EVODEX.1-N1340 - Reaction Operator N
[#6:28](-[#6@@:27]-[#6@:34](-[#8:35])(-[H:62])-[#6@:36](-[#6@:25])(-[#8:37])-[H:64])-[#8:29]-[#15:30](=[#8:31])(-[#8:32])-[#8:33]>>[H]-[#8]-[#6@@]1(-[H])-[#6@@](-[H])(-[#8]-[H])-[#6@](-[H])(-[#7]2:[#6](-[H]):[#7]:[#6]3:[#6](=[#8]):[#7](-[H]):[#6](-[H]):[#7]:[#6]:2:3)-[#8]-[#6@]-1(-[H])-[#6](-[H])(-[H])-[#8]-[#15:30](=[#8:31])(-[#8:32])-[#8:33].[H]-[#8:29]-[#6:28]-[#6@@:27]-[#6@:34](-[#6@:36](-[#6@:25])(-[#8:37])-[H:64])(-[#8:35])-[H:62]
EVODEX.1-Em64 - Reaction Operator Em
[#6:2]-[#8:4]-[#15:5](=[#8:6])(-[#8:7])-[#8:8]>>[H]-[#8:4]-[#6:2].[#6]-[#8]-[#15:5](=[#8:6])(-[#8:7])-[#8:8]
EVODEX.1-Nm77 - Reaction Operator Nm
[#6:2]-[#8:4]-[#15:5](=[#8:6])(-[#8:7])-[#8:8]>>[H]-[#8:4]-[#6:2].[#6]-[#8]-[#15:5](=[#8:6])(-[#8:7])-[#8:8]
Source Full Reactions
EVODEX.1-R4135
[H][O:15][C:14]([C@@:13]1([H:48])[O:12][C@:11]([N:10]2:[C:6]3:[N:5]:[C:4]([H:42]):[N:3]([H:41]):[C:2](=[O:1]):[C:7]:3:[N:8]:[C:9]:2[H:43])([H:44])[C@@:18]([O:19][H:51])([H:52])[C@@:16]1([O:17][H:49])[H:50])([H:46])[H:47].[O:20]=[C:21]1:[C:22]([H:53]):[C:23]([H:54]):[N:24]([C@:25]2([H:55])[O:26][C@@:27]([C:28]([O:29][P:30](=[O:31])([O:32][H:56])[O:33][H:57])([H:58])[H:59])([H:60])[C@:34]([O:35][H:61])([H:62])[C@:36]2([O:37][H:63])[H:64]):[C:38](=[O:39]):[N:40]:1[H:65]>>[O:1]=[C:2]1:[N:3]([H:41]):[C:4]([H:42]):[N:5]:[C:6]2:[C:7]:1:[N:8]:[C:9]([H:43]):[N:10]:2[C@:11]1([H:44])[O:12][C@@:13]([C:14]([O:15][P:30](=[O:31])([O:32][H:56])[O:33][H:57])([H:46])[H:47])([H:48])[C@:16]([O:17][H:49])([H:50])[C@:18]1([O:19][H:51])[H:52].[H][O:29][C:28]([C@@:27]1([H:60])[O:26][C@:25]([N:24]2:[C:23]([H:54]):[C:22]([H:53]):[C:21](=[O:20]):[N:40]([H:65]):[C:38]:2=[O:39])([H:55])[C@@:36]([O:37][H:63])([H:64])[C@@:34]1([O:35][H:61])[H:62])([H:58])[H:59]