SMIRKS
[H]O[C:14]([C:13]1:[C:12]([H:30]):[C:11]([C:10]2:[C:9]([H:29]):[C:5]([C:6](=[O:7])[O:8][H:28]):[C:4]([H:27]):[C:3]([O:2][C:1]([H:38])([H:39])[H:40]):[C:23]:2[O:24][H:37]):[C:21]([O:22][H:36]):[C:18]([O:19][C:20]([H:33])([H:34])[H:35]):[C:17]:1[H:32])=[O:15].[H][O:25][O:26][H]>>[H][C:14]([C:13]1:[C:12]([H:30]):[C:11]([C:10]2:[C:9]([H:29]):[C:5]([C:6](=[O:7])[O:8][H:28]):[C:4]([H:27]):[C:3]([O:2][C:1]([H:38])([H:39])[H:40]):[C:23]:2[O:24][H:37]):[C:21]([O:22][H:36]):[C:18]([O:19][C:20]([H:33])([H:34])[H:35]):[C:17]:1[H:32])=[O:15].[O:25]=[O:26]
Derived Operators
EVODEX.1-F33 - Elemental Balance
| O | -1 |
| H | -2 |
EVODEX.1-M4 - Mass Difference
-18.010559999999998
EVODEX.1-E491 - Reaction Operator E
[#6:6]-[#6:7](=[#8:8])-[#8]-[H].[#8:14](-[#8:15]-[H])-[H]>>[#6:6]-[#6:7](=[#8:8])-[H].[#8:14]=[#8:15]
EVODEX.1-C236 - Reaction Operator C
[H]-[#8]-[#6:8].[H]-[#8:13]-[#8:14]-[H]>>[#8:13]=[#8:14].[H]-[#6:8]
EVODEX.1-N220 - Reaction Operator N
[H]-[#8]-[#6:8](-[#6:7])=[#8:9].[H]-[#8:13]-[#8:14]-[H]>>[#8:13]=[#8:14].[H]-[#6:8](-[#6:7])=[#8:9]
EVODEX.1-Em311 - Reaction Operator Em
[H]-[#8]-[#6:8](-[#6:7])=[#8:9].[H]-[#8:13]-[#8:14]-[H]>>[#8:13]=[#8:14].[H]-[#6:8](-[#6:7])=[#8:9]
EVODEX.1-Cm218 - Reaction Operator Cm
[#8]-[#6:8].[H]-[#8:13]-[#8:14]-[H]>>[#8:13]=[#8:14].[H]-[#6:8]
EVODEX.1-Nm304 - Reaction Operator Nm
[H]-[#8]-[#6:8](-[#6:7])=[#8:9].[H]-[#8:13]-[#8:14]-[H]>>[#8:13]=[#8:14].[H]-[#6:8](-[#6:7])=[#8:9]
Source Full Reactions
EVODEX.1-R745
[C:1]([O:2][C:3]1:[C:4]([H:27]):[C:5]([C:6](=[O:7])[O:8][H:28]):[C:9]([H:29]):[C:10]([C:11]2:[C:12]([H:30]):[C:13]([C:14](=[O:15])[O:16][H:31]):[C:17]([H:32]):[C:18]([O:19][C:20]([H:33])([H:34])[H:35]):[C:21]:2[O:22][H:36]):[C:23]:1[O:24][H:37])([H:38])([H:39])[H:40].[H][O:25][O:26][H]>>[H][C:14]([C:13]1:[C:12]([H:30]):[C:11]([C:10]2:[C:9]([H:29]):[C:5]([C:6](=[O:7])[O:8][H:28]):[C:4]([H:27]):[C:3]([O:2][C:1]([H:38])([H:39])[H:40]):[C:23]:2[O:24][H:37]):[C:21]([O:22][H:36]):[C:18]([O:19][C:20]([H:33])([H:34])[H:35]):[C:17]:1[H:32])=[O:15].[O:25]=[O:26].[H][O:16][H:31]