SMIRKS
[H]N([H])[C:2]([H])([C:3]([C:4]([C:5](=[O:6])[O:7][H:20])([C:8]1:[C:9]([H:21]):[C:10]([H:22]):[C:11]([H:23]):[C:12]([H:24]):[C:13]:1[H:25])[H:26])([H:27])[H:28])[C:14](=[O:15])[O:16][H:29].[O:18]=[O:19].[H][O:17][H]>>[C:2]([C:3]([C:4]([C:5](=[O:6])[O:7][H:20])([C:8]1:[C:9]([H:21]):[C:10]([H:22]):[C:11]([H:23]):[C:12]([H:24]):[C:13]:1[H:25])[H:26])([H:27])[H:28])([C:14](=[O:15])[O:16][H:29])=[O:17].[H][O:18][O:19][H]
Derived Operators
EVODEX.1-F73 - Elemental Balance
| N | -1 |
| H | -3 |
EVODEX.1-M12 - Mass Difference
-17.02659
EVODEX.1-C62 - Reaction Operator C
[H]-[#7](-[H])-[#6:2]-[H].[#8:10]=[#8:11].[H]-[#8:9]-[H]>>[#6:2]=[#8:9].[H]-[#8:10]-[#8:11]-[H]
EVODEX.1-N46 - Reaction Operator N
[H]-[#7](-[H])-[#6@@:2](-[H])(-[#6:3])-[#6:6].[#8:14]=[#8:15].[H]-[#8:13]-[H]>>[#6:2](-[#6:3])(-[#6:6])=[#8:13].[H]-[#8:14]-[#8:15]-[H]
EVODEX.1-Em354 - Reaction Operator Em
[H]-[#7](-[H])-[#6:2](-[H])(-[#6:3]=[#8:4])-[#6:6].[#8:14]=[#8:15].[H]-[#8:13]-[H]>>[#6:2](-[#6:3]=[#8:4])(-[#6:6])=[#8:13].[H]-[#8:14]-[#8:15]-[H]
EVODEX.1-Cm99 - Reaction Operator Cm
[#7]-[#6:2]-[H].[#8:10]=[#8:11].[H]-[#8:9]-[H]>>[#6:2]=[#8:9].[H]-[#8:10]-[#8:11]-[H]
EVODEX.1-Nm119 - Reaction Operator Nm
[H]-[#7](-[H])-[#6:2](-[H])(-[#6:3])-[#6:6].[#8:14]=[#8:15].[H]-[#8:13]-[H]>>[#6:2](-[#6:3])(-[#6:6])=[#8:13].[H]-[#8:14]-[#8:15]-[H]
Source Full Reactions
EVODEX.1-R924
[H][C:2]([N:1]([H:31])[H:32])([C:3]([C:4]([C:5](=[O:6])[O:7][H:20])([C:8]1:[C:9]([H:21]):[C:10]([H:22]):[C:11]([H:23]):[C:12]([H:24]):[C:13]:1[H:25])[H:26])([H:27])[H:28])[C:14](=[O:15])[O:16][H:29].[O:18]=[O:19].[H][O:17][H]>>[C:2]([C:3]([C:4]([C:5](=[O:6])[O:7][H:20])([C:8]1:[C:9]([H:21]):[C:10]([H:22]):[C:11]([H:23]):[C:12]([H:24]):[C:13]:1[H:25])[H:26])([H:27])[H:28])([C:14](=[O:15])[O:16][H:29])=[O:17].[H][N:1]([H:31])[H:32].[H][O:18][O:19][H]