SMIRKS
[O:2]=[C:3]([O:4][H:38])[C:5]([C:6](=[O:7])[O:8][C:9]([C@@:10]1([H:39])[O:11][C@:12]([O:13][C:14]2:[C:15]([H:40]):[C:16]([H:41]):[C:17]3:[C:18](=[O:19]):[C:20]([C:21]4:[C:22]([H:42]):[C:23]([H:43]):[C:24]([O:25][H:44]):[C:26]([H:45]):[C:27]:4[H:46]):[C:28]([H:47]):[O:29]:[C:30]:3:[C:31]:2[H:48])([H:49])[C@@:32]([O:33][H:50])([H:51])[C@:34]([O:35][H:52])([H:53])[C@@:36]1([O:37][H:54])[H:55])([H:56])[H:57])([H:58])[H:59].[H][O:1][H:60]>>[H][O:13][C:14]1:[C:15]([H:40]):[C:16]([H:41]):[C:17]2:[C:18](=[O:19]):[C:20]([C:21]3:[C:22]([H:42]):[C:23]([H:43]):[C:24]([O:25][H:44]):[C:26]([H:45]):[C:27]:3[H:46]):[C:28]([H:47]):[O:29]:[C:30]:2:[C:31]:1[H:48].[O:1]([C@:12]1([H:49])[O:11][C@@:10]([C:9]([O:8][C:6]([C:5]([C:3](=[O:2])[O:4][H:38])([H:58])[H:59])=[O:7])([H:56])[H:57])([H:39])[C@:36]([O:37][H:54])([H:55])[C@@:34]([O:35][H:52])([H:53])[C@:32]1([O:33][H:50])[H:51])[H:60]
Derived Operators
EVODEX.1-C81 - Reaction Operator C
[#8:8]-[#6@:7]-[#6@@:18]-[#6@:20]-[#6@@:22].[H]-[#8:1]>>[#8:1]-[#6:7]-[#6@:18]-[#6@@:20]-[#6@:22].[H]-[#8:8]
EVODEX.1-N629 - Reaction Operator N
[#8:6]1-[#6@@:5]-[#6@:22](-[#6@@:20](-[#6@:18](-[#6@@:7]-1(-[#8:8]-[#6:9])-[H:30])(-[#8:19])-[H:32])(-[#8:21])-[H:34])(-[#8:23])-[H:36].[H]-[#8:1]-[H:37]>>[#8:1](-[#6:7]1(-[H:30])-[#8:6]-[#6@@:5]-[#6@:22](-[#8:23])(-[H:36])-[#6@@:20](-[#8:21])(-[H:34])-[#6@:18]-1(-[#8:19])-[H:32])-[H:37].[H]-[#8:8]-[#6:9]
EVODEX.1-Em32 - Reaction Operator Em
[H]-[#8:1].[#8:10]-[#6:11](-[#8:12]-[#6:13])-[#6:24]>>[H]-[#8:12]-[#6:13].[#8:1]-[#6:11](-[#8:10])-[#6:24]
EVODEX.1-Nm33 - Reaction Operator Nm
[H]-[#8:1].[#8:10]-[#6:11](-[#8:12]-[#6:13])-[#6:24]>>[H]-[#8:12]-[#6:13].[#8:1]-[#6:11](-[#8:10])-[#6:24]
Source Full Reactions
EVODEX.1-R5291
[O:2]=[C:3]([O:4][H:38])[C:5]([C:6](=[O:7])[O:8][C:9]([C@@:10]1([H:39])[O:11][C@:12]([O:13][C:14]2:[C:15]([H:40]):[C:16]([H:41]):[C:17]3:[C:18](=[O:19]):[C:20]([C:21]4:[C:22]([H:42]):[C:23]([H:43]):[C:24]([O:25][H:44]):[C:26]([H:45]):[C:27]:4[H:46]):[C:28]([H:47]):[O:29]:[C:30]:3:[C:31]:2[H:48])([H:49])[C@@:32]([O:33][H:50])([H:51])[C@:34]([O:35][H:52])([H:53])[C@@:36]1([O:37][H:54])[H:55])([H:56])[H:57])([H:58])[H:59].[H][O:1][H:60]>>[H][O:13][C:14]1:[C:15]([H:40]):[C:16]([H:41]):[C:17]2:[C:18](=[O:19]):[C:20]([C:21]3:[C:22]([H:42]):[C:23]([H:43]):[C:24]([O:25][H:44]):[C:26]([H:45]):[C:27]:3[H:46]):[C:28]([H:47]):[O:29]:[C:30]:2:[C:31]:1[H:48].[O:1]([C@:12]1([H:49])[O:11][C@@:10]([C:9]([O:8][C:6]([C:5]([C:3](=[O:2])[O:4][H:38])([H:58])[H:59])=[O:7])([H:56])[H:57])([H:39])[C@:36]([O:37][H:54])([H:55])[C@@:34]([O:35][H:52])([H:53])[C@:32]1([O:33][H:50])[H:51])[H:60]