SMIRKS
[H][O:1][C:2]([C:3]([C:4]([C:5]([Cl:6])([H:30])[H:31])([H:32])[H:33])([H:34])[H:35])([H:36])[H:37].[O:7]([C:8]([C@@:9]1([H:39])[O:10][C@@:11]([C:12]([O:13][H:40])([H:41])[H:42])([O:14][C@@:15]2([H:43])[O:16][C@@:17]([C:18]([O:19][H:44])([H:45])[H:46])([H:47])[C@:20]([O:21][H:48])([H:49])[C@@:22]([O:23][H:50])([H:51])[C@:24]2([O:25][H:52])[H:53])[C@:26]([O:27][H:54])([H:55])[C@@:28]1([O:29][H:56])[H:57])([H:58])[H:59])[H:60]>>[O:1]([C:2]([C:3]([C:4]([C:5]([Cl:6])([H:30])[H:31])([H:32])[H:33])([H:34])[H:35])([H:36])[H:37])[C@@:15]1([H:43])[O:16][C@@:17]([C:18]([O:19][H:44])([H:45])[H:46])([H:47])[C@:20]([O:21][H:48])([H:49])[C@@:22]([O:23][H:50])([H:51])[C@:24]1([O:25][H:52])[H:53].[H][O:14][C:11]1([C:12]([O:13][H:40])([H:41])[H:42])[O:10][C@@:9]([C:8]([O:7][H:60])([H:58])[H:59])([H:39])[C@:28]([O:29][H:56])([H:57])[C@@:26]1([O:27][H:54])[H:55]
Derived Operators
EVODEX.1-E284 - Reaction Operator E
[#8:4]-[#6@@:5](-[#6:6])(-[#8:8]-[#6@@:9](-[H:45])(-[#8:10])-[#6@:18])-[#6@:20].[#6:33]-[#8:34]-[H]>>[#8:34](-[#6@@:9](-[H:45])(-[#8:10])-[#6@:18])-[#6:33].[#8:4]-[#6:5](-[#6:6])(-[#8:8]-[H])-[#6@:20]
EVODEX.1-C166 - Reaction Operator C
[H]-[#8:8].[#8:18](-[#6@@:15]-[#6@:30]-[#6@@:32])-[#6@@:19]>>[#8:8]-[#6@@:19].[H]-[#8:18]-[#6:15]-[#6@@:30]-[#6@:32]
EVODEX.1-N460 - Reaction Operator N
[H]-[#8:8]-[#6:7].[#8:14]1-[#6@@:13]-[#6@:32](-[#6@@:30](-[#6@:15]-1(-[#6:16])-[#8:18]-[#6@@:19](-[H:54])(-[#8:20])-[#6@:28])(-[#8:31])-[H:66])(-[#8:33])-[H:68]>>[#6:7]-[#8:8]-[#6@@:19](-[H:54])(-[#8:20])-[#6@:28].[H]-[#8:18]-[#6:15]1(-[#6:16])-[#8:14]-[#6@@:13]-[#6@:32](-[#8:33])(-[H:68])-[#6@@:30]-1(-[#8:31])-[H:66]
EVODEX.1-Em44 - Reaction Operator Em
[#6:5]-[#6:25](-[#8:24])-[#8:26]-[#6:27].[H]-[#8:42]-[#6:41]>>[#6:5]-[#6:25](-[#8:24])-[#8:42]-[#6:41].[H]-[#8:26]-[#6:27]
EVODEX.1-Nm47 - Reaction Operator Nm
[#6:5]-[#6:25](-[#8:24])-[#8:26]-[#6:27].[H]-[#8:42]-[#6:41]>>[#6:5]-[#6:25](-[#8:24])-[#8:42]-[#6:41].[H]-[#8:26]-[#6:27]
Source Full Reactions
EVODEX.1-R3194
[H][O:1][C:2]([C:3]([C:4]([C:5]([Cl:6])([H:30])[H:31])([H:32])[H:33])([H:34])[H:35])([H:36])[H:37].[O:7]([C:8]([C@@:9]1([H:39])[O:10][C@@:11]([C:12]([O:13][H:40])([H:41])[H:42])([O:14][C@@:15]2([H:43])[O:16][C@@:17]([C:18]([O:19][H:44])([H:45])[H:46])([H:47])[C@:20]([O:21][H:48])([H:49])[C@@:22]([O:23][H:50])([H:51])[C@:24]2([O:25][H:52])[H:53])[C@:26]([O:27][H:54])([H:55])[C@@:28]1([O:29][H:56])[H:57])([H:58])[H:59])[H:60]>>[O:1]([C:2]([C:3]([C:4]([C:5]([Cl:6])([H:30])[H:31])([H:32])[H:33])([H:34])[H:35])([H:36])[H:37])[C@@:15]1([H:43])[O:16][C@@:17]([C:18]([O:19][H:44])([H:45])[H:46])([H:47])[C@:20]([O:21][H:48])([H:49])[C@@:22]([O:23][H:50])([H:51])[C@:24]1([O:25][H:52])[H:53].[H][O:14][C:11]1([C:12]([O:13][H:40])([H:41])[H:42])[O:10][C@@:9]([C:8]([O:7][H:60])([H:58])[H:59])([H:39])[C@:28]([O:29][H:56])([H:57])[C@@:26]1([O:27][H:54])[H:55]