SMIRKS
[H][O:20][C:18]([C@@:17]1([H:60])[C:2]([C:1]([H:61])([H:62])[H:63])([C:3]([H:52])([H:53])[H:54])[S:4][C:5]([C:6]2:[N:7]:[C:8]3:[C:9]([H:55]):[C:10]([H:56]):[C:11]([O:12][H:57]):[C:13]([H:58]):[C:14]:3:[S:15]:2)=[N:16]1)=[O:19].[N:21]([C:22]1:[N:23]:[C:24]([H:64]):[N:25]:[C:26]2:[C:27]:1:[N:28]:[C:29]([H:65]):[N:30]:2[C@:31]1([H:66])[O:32][C@@:33]([C:34]([O:35][P:36](=[O:37])([O:38][H:67])[O:39][P:40](=[O:41])([O:42][H:68])[O:43][P:44](=[O:45])([O:46][H:69])[O:47][H:70])([H:71])[H:72])([H:73])[C@:48]([O:49][H:74])([H:75])[C@:50]1([O:51][H:76])[H:77])([H:78])[H:79]>>[C:1]([C:2]1([C:3]([H:52])([H:53])[H:54])[S:4][C:5]([C:6]2:[N:7]:[C:8]3:[C:9]([H:55]):[C:10]([H:56]):[C:11]([O:12][H:57]):[C:13]([H:58]):[C:14]:3:[S:15]:2)=[N:16][C@:17]1([C:18](=[O:19])[O:20][P:36]([O:35][C:34]([C@@:33]1([H:73])[O:32][C@:31]([N:30]2:[C:26]3:[N:25]:[C:24]([H:64]):[N:23]:[C:22]([N:21]([H:78])[H:79]):[C:27]:3:[N:28]:[C:29]:2[H:65])([H:66])[C@@:50]([O:51][H:76])([H:77])[C@@:48]1([O:49][H:74])[H:75])([H:71])[H:72])(=[O:37])[O:38][H:67])[H:60])([H:61])([H:62])[H:63].[H][O:39][P:40](=[O:41])([O:42][H:68])[O:43][P:44](=[O:45])([O:46][H:69])[O:47][H:70]
Derived Operators
EVODEX.1-E78 - Reaction Operator E
[#8:17](-[#6@:16])-[H].([#8:64]-[#15:65](=[#8:66])(-[#8:67])-[#8:68]-[#15:69].[#8:93]-[#6@@:92](-[#6@@:54])(-[H:147])-[#6@:94](-[#6@:52])(-[#8:95])-[H:149])>>([#8:17](-[#6@:16])-[#15:65](-[#8:64])(=[#8:66])-[#8:67].[#8:95]-[#6@:94](-[#6@:52])(-[H:149])-[#6@@:92](-[#6@@:54])(-[#8:93])-[H:147]).[#8:68](-[#15:69])-[H]
EVODEX.1-C1044 - Reaction Operator C
([H]-[#8:12].[#6@@:2]).([#15:29]-[#8:32].[#6@:41]-[#6@:43])>>([#8:12]-[#15:29].[#6@:2].[#6@@:43]-[#6@@:41]).[H]-[#8:32]
EVODEX.1-N1487 - Reaction Operator N
[H]-[#8:20]-[#6:18]-[#6@@:17](-[H:60])(-[#6:2])-[#7:16].([#8:35]-[#15:36](=[#8:37])(-[#8:38])-[#8:39]-[#15:40].[#8:49]-[#6@@:48](-[#6@@:33])(-[H:75])-[#6@:50](-[#6@:31])(-[#8:51])-[H:77])>>([#6:2]-[#6@@:17](-[#7:16])(-[#6:18]-[#8:20]-[#15:36](-[#8:35])(=[#8:37])-[#8:38])-[H:60].[#8:51]-[#6@:50](-[#6@:31])(-[H:77])-[#6@@:48](-[#6@@:33])(-[#8:49])-[H:75]).[H]-[#8:39]-[#15:40]
EVODEX.1-Em16 - Reaction Operator Em
[#15:23]-[#8:26]-[#15:27](=[#8:28])(-[#8:29])-[#8:30].[H]-[#8:65]-[#6:66]>>[H]-[#8:26]-[#15:23].[#15:27](=[#8:28])(-[#8:29])(-[#8:30])-[#8:65]-[#6:66]
EVODEX.1-Nm19 - Reaction Operator Nm
[#15:23]-[#8:26]-[#15:27](=[#8:28])(-[#8:29])-[#8:30].[H]-[#8:65]-[#6:66]>>[H]-[#8:26]-[#15:23].[#15:27](=[#8:28])(-[#8:29])(-[#8:30])-[#8:65]-[#6:66]
Source Full Reactions
EVODEX.1-R338
[H][O:20][C:18]([C@@:17]1([H:60])[C:2]([C:1]([H:61])([H:62])[H:63])([C:3]([H:52])([H:53])[H:54])[S:4][C:5]([C:6]2:[N:7]:[C:8]3:[C:9]([H:55]):[C:10]([H:56]):[C:11]([O:12][H:57]):[C:13]([H:58]):[C:14]:3:[S:15]:2)=[N:16]1)=[O:19].[N:21]([C:22]1:[N:23]:[C:24]([H:64]):[N:25]:[C:26]2:[C:27]:1:[N:28]:[C:29]([H:65]):[N:30]:2[C@:31]1([H:66])[O:32][C@@:33]([C:34]([O:35][P:36](=[O:37])([O:38][H:67])[O:39][P:40](=[O:41])([O:42][H:68])[O:43][P:44](=[O:45])([O:46][H:69])[O:47][H:70])([H:71])[H:72])([H:73])[C@:48]([O:49][H:74])([H:75])[C@:50]1([O:51][H:76])[H:77])([H:78])[H:79]>>[C:1]([C:2]1([C:3]([H:52])([H:53])[H:54])[S:4][C:5]([C:6]2:[N:7]:[C:8]3:[C:9]([H:55]):[C:10]([H:56]):[C:11]([O:12][H:57]):[C:13]([H:58]):[C:14]:3:[S:15]:2)=[N:16][C@:17]1([C:18](=[O:19])[O:20][P:36]([O:35][C:34]([C@@:33]1([H:73])[O:32][C@:31]([N:30]2:[C:26]3:[N:25]:[C:24]([H:64]):[N:23]:[C:22]([N:21]([H:78])[H:79]):[C:27]:3:[N:28]:[C:29]:2[H:65])([H:66])[C@@:50]([O:51][H:76])([H:77])[C@@:48]1([O:49][H:74])[H:75])([H:71])[H:72])(=[O:37])[O:38][H:67])[H:60])([H:61])([H:62])[H:63].[H][O:39][P:40](=[O:41])([O:42][H:68])[O:43][P:44](=[O:45])([O:46][H:69])[O:47][H:70]