SMIRKS
[H][C:20]([C:19]1([C:21]([H:43])([H:44])[H:45])[S:18][C:17]2([H:39])[C@@:13]([N:12]([C:10]([C:9]([C:8]([C:7]([C:6]([C:5]([C:4]([C:3]([C:2]([C:1]([H:65])([H:66])[H:67])([H:63])[H:64])([H:61])[H:62])([H:59])[H:60])([H:57])[H:58])([H:55])[H:56])([H:53])[H:54])([H:51])[H:52])([H:49])[H:50])=[O:11])[H:48])([H:38])[C:14](=[O:15])[N:16]2[C:22]1([H])[C:23](=[O:24])[O:25][H:46])([H:40])[H:41].[H][O:35][C:33]([C:31]([C:30]([C:29]([C:27](=[O:26])[O:28][H:68])([H:72])[H:73])([H:70])[H:71])=[O:32])=[O:34].[O:36]=[O:37]>>[C:33](=[O:34])=[O:35].[C:1]([C:2]([C:3]([C:4]([C:5]([C:6]([C:7]([C:8]([C:9]([C:10](=[O:11])[N:12]([C@:13]1([H:38])[C:14](=[O:15])[N:16]2[C:17]1([H:39])[S:18][C:20]([H:40])([H:41])[C:19]([C:21]([H:43])([H:44])[H:45])=[C:22]2[C:23](=[O:24])[O:25][H:46])[H:48])([H:49])[H:50])([H:51])[H:52])([H:53])[H:54])([H:55])[H:56])([H:57])[H:58])([H:59])[H:60])([H:61])[H:62])([H:63])[H:64])([H:65])([H:66])[H:67].[H][O:36][C:31]([C:30]([C:29]([C:27](=[O:26])[O:28][H:68])([H:72])[H:73])([H:70])[H:71])=[O:32].[H][O:37][H]
Derived Operators
EVODEX.1-E332 - Reaction Operator E
[#6:1](-[#6:2]1(-[#6:3])-[#16:4]-[#6:5]-[#7:18]-[#6:19]-1(-[#6:20]=[#8:21])-[H])(-[H:48])(-[H:49])-[H].[#6:27]-[#6:28](=[#8:29])-[#6:30](=[#8:31])-[#8:32]-[H].[#8:33]=[#8:34]>>[#6:30](=[#8:31])=[#8:32].[#6:1]1(-[H:48])(-[H:49])-[#6:2](-[#6:3])=[#6:19](-[#6:20]=[#8:21])-[#7:18]-[#6:5]-[#16:4]-1.[#6:27]-[#6:28](=[#8:29])-[#8:33]-[H].[#8:34](-[H])-[H]
EVODEX.1-C1204 - Reaction Operator C
([H]-[#6:20]-[#6:19](-[#16:18])-[#6:22]-[H].[#6@@:13]).[H]-[#8:35]-[#6:33]-[#6:31].[#8:36]=[#8:37]>>[#6:33]=[#8:35].([#16:18]-[#6:20]-[#6:19]=[#6:22].[#6@:13]).[H]-[#8:36]-[#6:31].[H]-[#8:37]-[H]
EVODEX.1-N1493 - Reaction Operator N
[H]-[#6:20](-[#6:19]1(-[#6:21])-[#16:18]-[#6:17]2-[#6@@:13](-[#7:12])(-[H:38])-[#6:14]-[#7:16]-2-[#6:22]-1(-[H])-[#6:23])(-[H:40])-[H:41].[H]-[#8:35]-[#6:33](-[#6:31](-[#6:30])=[#8:32])=[#8:34].[#8:36]=[#8:37]>>[#6:33](=[#8:34])=[#8:35].[#7:12]-[#6@:13]1(-[H:38])-[#6:14]-[#7:16]2-[#6:17]-1-[#16:18]-[#6:20](-[H:40])(-[H:41])-[#6:19](-[#6:21])=[#6:22]-2-[#6:23].[H]-[#8:36]-[#6:31](-[#6:30])=[#8:32].[H]-[#8:37]-[H]
EVODEX.1-Em286 - Reaction Operator Em
[H]-[#6:1]-[#6:2]1(-[#6:3])-[#16:4]-[#6:5]-[#7:18]-[#6:19]-1(-[H])-[#6:20]=[#8:21].[H]-[#8:32]-[#6:30](-[#6:28](-[#6:27])=[#8:29])=[#8:31].[#8:33]=[#8:34]>>[#6:30](=[#8:31])=[#8:32].[#6:1]1-[#6:2](-[#6:3])=[#6:19](-[#6:20]=[#8:21])-[#7:18]-[#6:5]-[#16:4]-1.[H]-[#8:33]-[#6:28](-[#6:27])=[#8:29].[H]-[#8:34]-[H]
EVODEX.1-Cm204 - Reaction Operator Cm
[H]-[#6:1]-[#6:2](-[#16:4])-[#6:19]-[H].[H]-[#8:32]-[#6:30]-[#6:28].[#8:33]=[#8:34]>>[#6:30]=[#8:32].[#6:1](-[#6:2]=[#6:19])-[#16:4].[H]-[#8:33]-[#6:28].[H]-[#8:34]-[H]
EVODEX.1-Nm284 - Reaction Operator Nm
[H]-[#6:1]-[#6:2]1(-[#6:3])-[#16:4]-[#6:5]-[#7:18]-[#6:19]-1(-[H])-[#6:20].[H]-[#8:32]-[#6:30](-[#6:28](-[#6:27])=[#8:29])=[#8:31].[#8:33]=[#8:34]>>[#6:30](=[#8:31])=[#8:32].[#6:1]1-[#6:2](-[#6:3])=[#6:19](-[#6:20])-[#7:18]-[#6:5]-[#16:4]-1.[H]-[#8:33]-[#6:28](-[#6:27])=[#8:29].[H]-[#8:34]-[H]
Source Full Reactions
EVODEX.1-R577
[H][C:20]([C:19]1([C:21]([H:43])([H:44])[H:45])[S:18][C:17]2([H:39])[C@@:13]([N:12]([C:10]([C:9]([C:8]([C:7]([C:6]([C:5]([C:4]([C:3]([C:2]([C:1]([H:65])([H:66])[H:67])([H:63])[H:64])([H:61])[H:62])([H:59])[H:60])([H:57])[H:58])([H:55])[H:56])([H:53])[H:54])([H:51])[H:52])([H:49])[H:50])=[O:11])[H:48])([H:38])[C:14](=[O:15])[N:16]2[C:22]1([H])[C:23](=[O:24])[O:25][H:46])([H:40])[H:41].[H][O:35][C:33]([C:31]([C:30]([C:29]([C:27](=[O:26])[O:28][H:68])([H:72])[H:73])([H:70])[H:71])=[O:32])=[O:34].[O:36]=[O:37]>>[C:33](=[O:34])=[O:35].[C:1]([C:2]([C:3]([C:4]([C:5]([C:6]([C:7]([C:8]([C:9]([C:10](=[O:11])[N:12]([C@:13]1([H:38])[C:14](=[O:15])[N:16]2[C:17]1([H:39])[S:18][C:20]([H:40])([H:41])[C:19]([C:21]([H:43])([H:44])[H:45])=[C:22]2[C:23](=[O:24])[O:25][H:46])[H:48])([H:49])[H:50])([H:51])[H:52])([H:53])[H:54])([H:55])[H:56])([H:57])[H:58])([H:59])[H:60])([H:61])[H:62])([H:63])[H:64])([H:65])([H:66])[H:67].[H][O:36][C:31]([C:30]([C:29]([C:27](=[O:26])[O:28][H:68])([H:72])[H:73])([H:70])[H:71])=[O:32].[H][O:37][H]