SMIRKS
[H][N:1]([C:2]1:[C:3]([H:30]):[C:4]([H:31]):[C:5]([C:6]([C@:7]([N:8]([H:32])[H:33])([C:9](=[O:10])[O:11][H:34])[H:35])([H:36])[H:37]):[C:12]([H:38]):[C:13]:1[H:39])[H:40].[H]OP(=O)(O[H])OP(=O)(O[H])O[C:23]([C:24]1:[C:25]([H:45]):[C:26]([H:46]):[C:27]([H:47]):[C:28]([H:48]):[C:29]:1[H:49])([H:50])[H:51]>>[N:1]([C:2]1:[C:3]([H:30]):[C:4]([H:31]):[C:5]([C:6]([C@:7]([N:8]([H:32])[H:33])([C:9](=[O:10])[O:11][H:34])[H:35])([H:36])[H:37]):[C:12]([H:38]):[C:13]:1[H:39])([C:23]([C:24]1:[C:25]([H:45]):[C:26]([H:46]):[C:27]([H:47]):[C:28]([H:48]):[C:29]:1[H:49])([H:50])[H:51])[H:40]
Derived Operators
EVODEX.1-F111 - Elemental Balance
| P | -2 |
| O | -7 |
| H | -4 |
EVODEX.1-M8 - Mass Difference
-177.94322
EVODEX.1-E710 - Reaction Operator E
[#6:4]-[#6:5](-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[H])(-[H:48])-[H:49].[#7:15](-[#6:16])(-[H:67])-[H]>>[#6:4]-[#6:5](-[#7:15](-[#6:16])-[H:67])(-[H:48])-[H:49]
EVODEX.1-C398 - Reaction Operator C
[H]-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#6:5].[H]-[#7:15]>>[#6:5]-[#7:15]
EVODEX.1-N477 - Reaction Operator N
[H]-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#6:5](-[#6:4])(-[H:48])-[H:49].[H]-[#7:15](-[#6:16])-[H:67]>>[#6:4]-[#6:5](-[#7:15](-[#6:16])-[H:67])(-[H:48])-[H:49]
EVODEX.1-Em513 - Reaction Operator Em
[#15]-[#8]-[#6:5]-[#6:4].[H]-[#7:15]-[#6:16]>>[#6:4]-[#6:5]-[#7:15]-[#6:16]
EVODEX.1-Nm464 - Reaction Operator Nm
[#15]-[#8]-[#6:5]-[#6:4].[H]-[#7:15]-[#6:16]>>[#6:4]-[#6:5]-[#7:15]-[#6:16]
Source Full Reactions
EVODEX.1-R3298
[H][N:1]([C:2]1:[C:3]([H:30]):[C:4]([H:31]):[C:5]([C:6]([C@:7]([N:8]([H:32])[H:33])([C:9](=[O:10])[O:11][H:34])[H:35])([H:36])[H:37]):[C:12]([H:38]):[C:13]:1[H:39])[H:40].[O:14]=[P:15]([O:16][H:42])([O:17][H:43])[O:18][P:19](=[O:20])([O:21][H:44])[O:22][C:23]([C:24]1:[C:25]([H:45]):[C:26]([H:46]):[C:27]([H:47]):[C:28]([H:48]):[C:29]:1[H:49])([H:50])[H:51]>>[N:1]([C:2]1:[C:3]([H:30]):[C:4]([H:31]):[C:5]([C:6]([C@:7]([N:8]([H:32])[H:33])([C:9](=[O:10])[O:11][H:34])[H:35])([H:36])[H:37]):[C:12]([H:38]):[C:13]:1[H:39])([C:23]([C:24]1:[C:25]([H:45]):[C:26]([H:46]):[C:27]([H:47]):[C:28]([H:48]):[C:29]:1[H:49])([H:50])[H:51])[H:40].[H][O:22][P:19]([O:18][P:15](=[O:14])([O:16][H:42])[O:17][H:43])(=[O:20])[O:21][H:44]