SMIRKS
[N:1](=[C:2]1:[N:3]([H:42]):[C:4](=[O:5]):[C:6]2:[N:7]:[C:8]([H:43]):[N:9]([C@@:10]3([H:44])[C:11]([H:45])([H:46])[C:12]([H:47])([H:48])[C@:13]([C:14]([O:15][P:16](=[O:17])([O:18][H:49])[O:19][P:20](=[O:21])([O:22][H:50])[O:23][P:24](=[O:25])([O:26][H:51])[O:27][H:52])([H:53])[H:54])([H:55])[O:28]3):[C:29]:2:[N:30]:1[H:56])[H:57]>>[H][O:23][P:20]([O:19][P:16]([O:15][C:14]([C@:13]1([H:55])[C:12]([H:47])([H:48])[C:11]([H:45])([H:46])[C@@:10]([N:9]2:[C:8]([H:43]):[N:7]:[C:6]3:[C:4](=[O:5]):[N:3]([H:42]):[C:2](=[N:1][H:57]):[N:30]([H:56]):[C:29]:3:2)([H:44])[O:28]1)([H:53])[H:54])(=[O:17])[O:18][H:49])(=[O:21])[O:22][H:50].[H]O[C@@]([H])(C(=O)O[P:24](=[O:25])([O:26][H:51])[O:27][H:52])C([H])([H])OP(=O)(O[H])O[H]
Derived Operators
EVODEX.1-F237 - Elemental Balance
| P | 1 |
| O | 7 |
| C | 3 |
| H | 7 |
EVODEX.1-M295 - Mass Difference
185.99291
EVODEX.1-E960 - Reaction Operator E
[#15:17]-[#8:20]-[#15:21](=[#8:22])(-[#8:23])-[#8:24]>>[#15:17]-[#8:20]-[H].[#15:21](=[#8:22])(-[#8:23])(-[#8:24])-[#8]-[#6](=[#8])-[#6@](-[#8]-[H])(-[#6](-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[H])(-[H])-[H])-[H]
EVODEX.1-C1097 - Reaction Operator C
[#8:21]-[#15:22]>>[H]-[#8:21].[H]-[#8]-[#6@@](-[H])(-[#6](=[#8])-[#8]-[#15:22])-[#6](-[H])(-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[H]
EVODEX.1-N1345 - Reaction Operator N
[#15:18]-[#8:21]-[#15:22](=[#8:23])(-[#8:24])-[#8:25]>>[H]-[#8:21]-[#15:18].[H]-[#8]-[#6@@](-[H])(-[#6](=[#8])-[#8]-[#15:22](=[#8:23])(-[#8:24])-[#8:25])-[#6](-[H])(-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[H]
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-R4184
[N:1](=[C:2]1:[N:3]([H:42]):[C:4](=[O:5]):[C:6]2:[N:7]:[C:8]([H:43]):[N:9]([C@@:10]3([H:44])[C:11]([H:45])([H:46])[C:12]([H:47])([H:48])[C@:13]([C:14]([O:15][P:16](=[O:17])([O:18][H:49])[O:19][P:20](=[O:21])([O:22][H:50])[O:23][P:24](=[O:25])([O:26][H:51])[O:27][H:52])([H:53])[H:54])([H:55])[O:28]3):[C:29]:2:[N:30]:1[H:56])[H:57].[H][O:33][C:32](=[O:31])[C@:34]([O:35][H:59])([C:36]([O:37][P:38](=[O:39])([O:40][H:60])[O:41][H:61])([H:62])[H:63])[H:64]>>[H][O:23][P:20]([O:19][P:16]([O:15][C:14]([C@:13]1([H:55])[C:12]([H:47])([H:48])[C:11]([H:45])([H:46])[C@@:10]([N:9]2:[C:8]([H:43]):[N:7]:[C:6]3:[C:4](=[O:5]):[N:3]([H:42]):[C:2](=[N:1][H:57]):[N:30]([H:56]):[C:29]:3:2)([H:44])[O:28]1)([H:53])[H:54])(=[O:17])[O:18][H:49])(=[O:21])[O:22][H:50].[P:24](=[O:25])([O:26][H:51])([O:27][H:52])[O:33][C:32](=[O:31])[C@:34]([O:35][H:59])([C:36]([O:37][P:38](=[O:39])([O:40][H:60])[O:41][H:61])([H:62])[H:63])[H:64]