SMIRKS
[H]C([H])([H])[O:2][C:3](=[O:4])[C@@:5]1([H:27])[O:6][C@:7]([O:8][C:9]2:[C:10]([H:28]):[N:11]([H:29]):[C:12]3:[C:13]([H:30]):[C:14]([H:31]):[C:15]([Br:16]):[C:17]([Cl:18]):[C:19]:2:3)([H:32])[C@@:20]([O:21][H:33])([H:34])[C@:22]([O:23][H:35])([H:36])[C@@:24]1([O:25][H:37])[H:38]>>[H][O:2][C:3](=[O:4])[C@@:5]1([H:27])[O:6][C@:7]([O:8][C:9]2:[C:10]([H:28]):[N:11]([H:29]):[C:12]3:[C:13]([H:30]):[C:14]([H:31]):[C:15]([Br:16]):[C:17]([Cl:18]):[C:19]:2:3)([H:32])[C@@:20]([O:21][H:33])([H:34])[C@:22]([O:23][H:35])([H:36])[C@@:24]1([O:25][H:37])[H:38]
Derived Operators
EVODEX.1-F93 - Elemental Balance
| C | -1 |
| H | -2 |
EVODEX.1-M40 - Mass Difference
-14.01566
EVODEX.1-E339 - Reaction Operator E
[#6:1](-[#8:2]-[#6:3])(-[H:36])(-[H:37])-[H:38]>>[#6:1](-[#8]-[H])(-[H:36])(-[H:37])-[H:38].[#8:2](-[#6:3])-[H]
EVODEX.1-N202 - Reaction Operator N
[#6:1](-[#8:2]-[#6:3])(-[H:21])(-[H:22])-[H:23]>>[H]-[#8]-[#6:1](-[H:21])(-[H:22])-[H:23].[H]-[#8:2]-[#6:3]
Source Full Reactions
EVODEX.1-R4784
[C:1]([O:2][C:3](=[O:4])[C@@:5]1([H:27])[O:6][C@:7]([O:8][C:9]2:[C:10]([H:28]):[N:11]([H:29]):[C:12]3:[C:13]([H:30]):[C:14]([H:31]):[C:15]([Br:16]):[C:17]([Cl:18]):[C:19]:2:3)([H:32])[C@@:20]([O:21][H:33])([H:34])[C@:22]([O:23][H:35])([H:36])[C@@:24]1([O:25][H:37])[H:38])([H:39])([H:40])[H:41].[H][O:26][H:42]>>[C:1]([O:26][H:42])([H:39])([H:40])[H:41].[H][O:2][C:3](=[O:4])[C@@:5]1([H:27])[O:6][C@:7]([O:8][C:9]2:[C:10]([H:28]):[N:11]([H:29]):[C:12]3:[C:13]([H:30]):[C:14]([H:31]):[C:15]([Br:16]):[C:17]([Cl:18]):[C:19]:2:3)([H:32])[C@@:20]([O:21][H:33])([H:34])[C@:22]([O:23][H:35])([H:36])[C@@:24]1([O:25][H:37])[H:38]