SMIRKS
O=[C:19]([C:18]([C:17]([C:15]([O:14][C:13]([C:12]1:[C:5]([C:6]([O:7][P:8](=[O:9])([O:10][H:27])[O:11][H:28])([H:29])[H:30]):[C:4]([H:26]):[N:3]:[C:2]([C:1]([H:39])([H:40])[H:41]):[C:21]:1[O:22][H:38])([H:36])[H:37])=[O:16])([H:34])[H:35])([H:32])[H:33])[H:31].[H][O:24][O:25][H]>>[H]N([H])[C:19]([H])([C:18]([C:17]([C:15]([O:14][C:13]([C:12]1:[C:5]([C:6]([O:7][P:8](=[O:9])([O:10][H:27])[O:11][H:28])([H:29])[H:30]):[C:4]([H:26]):[N:3]:[C:2]([C:1]([H:39])([H:40])[H:41]):[C:21]:1[O:22][H:38])([H:36])[H:37])=[O:16])([H:34])[H:35])([H:32])[H:33])[H:31].[O:24]=[O:25]
Derived Operators
EVODEX.1-F251 - Elemental Balance
| O | -1 |
| N | 1 |
| H | 1 |
EVODEX.1-M76 - Mass Difference
-0.9839699999999996
EVODEX.1-E976 - Reaction Operator E
[#6:18]-[#6:19](=[#8])-[H:31].[#8:24](-[#8:25]-[H])-[H]>>[#6:18]-[#6:19](-[#7](-[H])-[H])(-[H:31])-[H].[#8:24]=[#8:25]
EVODEX.1-C104 - Reaction Operator C
[#8]=[#6:19].[H]-[#8:24]-[#8:25]-[H]>>[H]-[#7](-[H])-[#6:19]-[H].[#8:24]=[#8:25]
EVODEX.1-N246 - Reaction Operator N
[#8]=[#6:19](-[#6:18])-[H:31].[H]-[#8:24]-[#8:25]-[H]>>[H]-[#7](-[H])-[#6:19](-[H])(-[#6:18])-[H:31].[#8:24]=[#8:25]
EVODEX.1-Em368 - Reaction Operator Em
[#8]=[#6:19]-[#6:18].[H]-[#8:24]-[#8:25]-[H]>>[H]-[#7](-[H])-[#6:19](-[H])-[#6:18].[#8:24]=[#8:25]
EVODEX.1-Cm129 - Reaction Operator Cm
[#8]=[#6:19].[H]-[#8:24]-[#8:25]-[H]>>[#7]-[#6:19]-[H].[#8:24]=[#8:25]
EVODEX.1-Nm328 - Reaction Operator Nm
[#8]=[#6:19]-[#6:18].[H]-[#8:24]-[#8:25]-[H]>>[H]-[#7](-[H])-[#6:19](-[H])-[#6:18].[#8:24]=[#8:25]
Source Full Reactions
EVODEX.1-R1037
[C:1]([C:2]1:[N:3]:[C:4]([H:26]):[C:5]([C:6]([O:7][P:8](=[O:9])([O:10][H:27])[O:11][H:28])([H:29])[H:30]):[C:12]([C:13]([O:14][C:15](=[O:16])[C:17]([C:18]([C:19](=[O:20])[H:31])([H:32])[H:33])([H:34])[H:35])([H:36])[H:37]):[C:21]:1[O:22][H:38])([H:39])([H:40])[H:41].[H][N:23]([H:42])[H:43].[H][O:24][O:25][H]>>[H][C:19]([C:18]([C:17]([C:15]([O:14][C:13]([C:12]1:[C:5]([C:6]([O:7][P:8](=[O:9])([O:10][H:27])[O:11][H:28])([H:29])[H:30]):[C:4]([H:26]):[N:3]:[C:2]([C:1]([H:39])([H:40])[H:41]):[C:21]:1[O:22][H:38])([H:36])[H:37])=[O:16])([H:34])[H:35])([H:32])[H:33])([N:23]([H:42])[H:43])[H:31].[O:24]=[O:25].[H][O:20][H]