SMIRKS
[H][C:3]([O:2][C:1]([H:27])([H:28])[H:29])([C:4]1:[C:5]([H:16]):[C:6]([H:17]):[C:7]([O:8][C:9]([H:18])([H:19])[H:20]):[C:10]([O:11][C:12]([H:21])([H:22])[H:23]):[C:13]:1[H:24])[H:25].[H]O[O:14][H:31]>>[C:1]([O:2][C:3]([C:4]1:[C:5]([H:16]):[C:6]([H:17]):[C:7]([O:8][C:9]([H:18])([H:19])[H:20]):[C:10]([O:11][C:12]([H:21])([H:22])[H:23]):[C:13]:1[H:24])([O:14][H:31])[H:25])([H:27])([H:28])[H:29]
Derived Operators
EVODEX.1-F33 - Elemental Balance
| O | -1 |
| H | -2 |
EVODEX.1-M4 - Mass Difference
-18.010559999999998
EVODEX.1-E443 - Reaction Operator E
[#6:2]-[#6:4](-[#8:5])(-[H:45])-[H].[#8:28]=[#8]>>[#6:2]-[#6:4](-[#8:5])(-[#8:28]-[H])-[H:45]
EVODEX.1-N121 - Reaction Operator N
[#8]=[#8:18].[H]-[#6:26](-[#8:25])(-[#6:27])-[H:95]>>[H]-[#8:18]-[#6:26](-[#8:25])(-[#6:27])-[H:95]
EVODEX.1-Em202 - Reaction Operator Em
[#8]=[#8:18].[H]-[#6:26](-[#8:25])-[#6:27]>>[H]-[#8:18]-[#6:26](-[#8:25])-[#6:27]
EVODEX.1-Nm202 - Reaction Operator Nm
[#8]=[#8:18].[H]-[#6:26](-[#8:25])-[#6:27]>>[H]-[#8:18]-[#6:26](-[#8:25])-[#6:27]
Source Full Reactions
EVODEX.1-R247
[H][C:3]([O:2][C:1]([H:27])([H:28])[H:29])([C:4]1:[C:5]([H:16]):[C:6]([H:17]):[C:7]([O:8][C:9]([H:18])([H:19])[H:20]):[C:10]([O:11][C:12]([H:21])([H:22])[H:23]):[C:13]:1[H:24])[H:25].[O:14]([O:15][H:30])[H:31]>>[C:1]([O:2][C:3]([C:4]1:[C:5]([H:16]):[C:6]([H:17]):[C:7]([O:8][C:9]([H:18])([H:19])[H:20]):[C:10]([O:11][C:12]([H:21])([H:22])[H:23]):[C:13]:1[H:24])([O:14][H:31])[H:25])([H:27])([H:28])[H:29].[H][O:15][H:30]