SMIRKS
[O:1]=[O:2].[H][C:19]([C@@:18]1([H:45])[O:17][C@:14]([O:13][C@@:12]2([H:50])[O:11][C@@:10]([C:9]([O:8][C@@:7]3([H:59])[O:6][C@@:5]([C:4]([O:3][H:68])([H:66])[H:67])([H:37])[C@@:35]([O:36][H:64])([H:65])[C@@:33]([O:34][H:62])([H:63])[C@:31]3([O:32][H:60])[H:61])([H:57])[H:58])([H:38])[C@:29]([O:30][H:55])([H:56])[C@@:27]([O:28][H:53])([H:54])[C@:25]2([O:26][H:51])[H:52])([C:15]([O:16][H:39])([H:40])[H:41])[C@:23]([O:24][H:48])([H:49])[C@@:21]1([O:22][H:46])[H:47])([O:20][H])[H:43]>>[H][O:1][O:2][H].[O:3]([C:4]([C@@:5]1([H:37])[O:6][C@@:7]([O:8][C:9]([C@@:10]2([H:38])[O:11][C@@:12]([O:13][C@:14]3([C:15]([O:16][H:39])([H:40])[H:41])[O:17][C@@:18]([C:19](=[O:20])[H:43])([H:45])[C@:21]([O:22][H:46])([H:47])[C@@:23]3([O:24][H:48])[H:49])([H:50])[C@@:25]([O:26][H:51])([H:52])[C@:27]([O:28][H:53])([H:54])[C@@:29]2([O:30][H:55])[H:56])([H:57])[H:58])([H:59])[C@@:31]([O:32][H:60])([H:61])[C@:33]([O:34][H:62])([H:63])[C@:35]1([O:36][H:64])[H:65])([H:66])[H:67])[H:68]
Derived Operators
EVODEX.1-E99 - Reaction Operator E
[#6:12]-[#6:13](-[#8:14]-[H])(-[H:25])-[H].[#8:17]=[#8:18]>>[#6:12]-[#6:13](=[#8:14])-[H:25].[#8:17](-[#8:18]-[H])-[H]
EVODEX.1-C1186 - Reaction Operator C
[#8:1]=[#8:2].([H]-[#6:19]-[#8:20]-[H].[#6@@:35]-[#6@@:33]-[#6@:31].[#6@:29]-[#6@@:27]-[#6@:25].[#6@:23]-[#6@@:21])>>[H]-[#8:1]-[#8:2]-[H].([#6:19]=[#8:20].[#6@:21]-[#6@@:23].[#6@@:25]-[#6@:27]-[#6@@:29].[#6@@:31]-[#6@:33]-[#6@:35])
EVODEX.1-N1469 - Reaction Operator N
[#8:1]=[#8:2].([H]-[#6:19](-[#6@@:18]-[#6@:21](-[#6@@:23](-[#6@:14])(-[#8:24])-[H:49])(-[#8:22])-[H:47])(-[#8:20]-[H])-[H:43].[#8:36]-[#6@:35](-[#6@@:5])(-[H:65])-[#6@@:33](-[#8:34])(-[H:63])-[#6@:31](-[#6@@:7])(-[#8:32])-[H:61].[#8:30]-[#6@@:29](-[#6@@:10])(-[H:56])-[#6@@:27](-[#8:28])(-[H:54])-[#6@:25](-[#6@@:12])(-[#8:26])-[H:52])>>[H]-[#8:1]-[#8:2]-[H].([#6:19](-[#6@@:18]-[#6@:21](-[#8:22])(-[H:47])-[#6@@:23](-[#6@:14])(-[#8:24])-[H:49])(=[#8:20])-[H:43].[#8:26]-[#6@:25](-[#6@@:12])(-[H:52])-[#6@:27](-[#8:28])(-[H:54])-[#6@@:29](-[#6@@:10])(-[#8:30])-[H:56].[#8:32]-[#6@:31](-[#6@@:7])(-[H:61])-[#6@:33](-[#8:34])(-[H:63])-[#6@:35](-[#6@@:5])(-[#8:36])-[H:65])
EVODEX.1-Em178 - Reaction Operator Em
[#8:1]=[#8:2].[H]-[#6:19](-[#6:18])-[#8:20]-[H]>>[H]-[#8:1]-[#8:2]-[H].[#6:18]-[#6:19]=[#8:20]
EVODEX.1-Cm63 - Reaction Operator Cm
[#8:1]=[#8:2].[H]-[#8:3]-[#6:4]-[H]>>[#8:3]=[#6:4].[H]-[#8:1]-[#8:2]-[H]
EVODEX.1-Nm94 - Reaction Operator Nm
[#8:1]=[#8:2].[H]-[#8:3]-[#6:4](-[H])-[#6:5]>>[#8:3]=[#6:4]-[#6:5].[H]-[#8:1]-[#8:2]-[H]
Source Full Reactions
EVODEX.1-R188
[O:1]=[O:2].[H][C:19]([C@@:18]1([H:45])[O:17][C@:14]([O:13][C@@:12]2([H:50])[O:11][C@@:10]([C:9]([O:8][C@@:7]3([H:59])[O:6][C@@:5]([C:4]([O:3][H:68])([H:66])[H:67])([H:37])[C@@:35]([O:36][H:64])([H:65])[C@@:33]([O:34][H:62])([H:63])[C@:31]3([O:32][H:60])[H:61])([H:57])[H:58])([H:38])[C@:29]([O:30][H:55])([H:56])[C@@:27]([O:28][H:53])([H:54])[C@:25]2([O:26][H:51])[H:52])([C:15]([O:16][H:39])([H:40])[H:41])[C@:23]([O:24][H:48])([H:49])[C@@:21]1([O:22][H:46])[H:47])([O:20][H])[H:43]>>[H][O:1][O:2][H].[O:3]([C:4]([C@@:5]1([H:37])[O:6][C@@:7]([O:8][C:9]([C@@:10]2([H:38])[O:11][C@@:12]([O:13][C@:14]3([C:15]([O:16][H:39])([H:40])[H:41])[O:17][C@@:18]([C:19](=[O:20])[H:43])([H:45])[C@:21]([O:22][H:46])([H:47])[C@@:23]3([O:24][H:48])[H:49])([H:50])[C@@:25]([O:26][H:51])([H:52])[C@:27]([O:28][H:53])([H:54])[C@@:29]2([O:30][H:55])[H:56])([H:57])[H:58])([H:59])[C@@:31]([O:32][H:60])([H:61])[C@:33]([O:34][H:62])([H:63])[C@:35]1([O:36][H:64])[H:65])([H:66])[H:67])[H:68]