SMIRKS
[H][O:15][C:13]([C@:12]1([H:56])[N:11]([H:54])[C:10](=[C:9]2:[S:8]:[C:7]3:[C:20](:[N:19]:2)[C:2]([C:1]([H:61])([H:62])[H:63])=[C:3]([H:52])[C:4](=[O:5])[C:6]=3[H:53])[S:18][C:16]1([C:17]([H:57])([H:58])[H:59])[H:60])=[O:14].[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])[C:4](=[O:5])[C:6]([H:53])=[C:7]2:[S:8]:[C:9](=[C:10]3[N:11]([H:54])[C@:12]([C:13](=[O:14])[O:15][P:36]([O:35][C:34]([C@@:33]4([H:73])[O:32][C@:31]([N:30]5:[C:26]6:[N:25]:[C:24]([H:64]):[N:23]:[C:22]([N:21]([H:78])[H:79]):[C:27]:6:[N:28]:[C:29]:5[H:65])([H:66])[C@@:50]([O:51][H:76])([H:77])[C@@:48]4([O:49][H:74])[H:75])([H:71])[H:72])(=[O:37])[O:38][H:67])([H:56])[C:16]([C:17]([H:57])([H:58])[H:59])([H:60])[S:18]3):[N:19]:[C:20]:21)([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-C177 - Reaction Operator C
([#15:16]-[#8:19].[#6@:24]-[#6@:26]).[H]-[#8:1]>>[H]-[#8:19].([#8:1]-[#15:16].[#6@@:26]-[#6@@:24])
EVODEX.1-N1488 - Reaction Operator N
[H]-[#8:15]-[#6:13].([#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])>>([#6:13]-[#8:15]-[#15:36](-[#8:35])(=[#8:37])-[#8:38].[#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-R340
[H][O:15][C:13]([C@:12]1([H:56])[N:11]([H:54])[C:10](=[C:9]2:[S:8]:[C:7]3:[C:20](:[N:19]:2)[C:2]([C:1]([H:61])([H:62])[H:63])=[C:3]([H:52])[C:4](=[O:5])[C:6]=3[H:53])[S:18][C:16]1([C:17]([H:57])([H:58])[H:59])[H:60])=[O:14].[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])[C:4](=[O:5])[C:6]([H:53])=[C:7]2:[S:8]:[C:9](=[C:10]3[N:11]([H:54])[C@:12]([C:13](=[O:14])[O:15][P:36]([O:35][C:34]([C@@:33]4([H:73])[O:32][C@:31]([N:30]5:[C:26]6:[N:25]:[C:24]([H:64]):[N:23]:[C:22]([N:21]([H:78])[H:79]):[C:27]:6:[N:28]:[C:29]:5[H:65])([H:66])[C@@:50]([O:51][H:76])([H:77])[C@@:48]4([O:49][H:74])[H:75])([H:71])[H:72])(=[O:37])[O:38][H:67])([H:56])[C:16]([C:17]([H:57])([H:58])[H:59])([H:60])[S:18]3):[N:19]:[C:20]:21)([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]