SMIRKS
[O:1]=[C:2]1:[C:3]([H:49]):[C:4]([H:50]):[N:5]([C@:6]2([H:51])[O:7][C@@:8]([C:9]([O:10][P:11](=[O:12])([O:13][H:52])[O:14][P:15](=[O:16])([O:17][H:53])[O:18][C@@:19]3([H:54])[O:20][C@@:21]([C:22]([O:23][H:55])([H:56])[H:57])([H:58])[C@:24]([O:25][H:59])([H:60])[C@@:26]([O:27][H:61])([H:62])[C@:28]3([O:29][H:63])[H:64])([H:65])[H:66])([H:67])[C@:30]([O:31][H:68])([H:69])[C@:32]2([O:33][H:70])[H:71]):[C:34](=[O:35]):[N:36]:1[H:72].[H][S:40][C:39](=[N:38][O:37][H:83])[C:41]([C:42]([C:43]1:[C:44]([H:74]):[C:45]([H:75]):[C:46]([H:76]):[C:47]([H:77]):[C:48]:1[H:78])([H:79])[H:80])([H:81])[H:82]>>[C@:19]1([S:40][C:39](=[N:38][O:37][H:83])[C:41]([C:42]([C:43]2:[C:44]([H:74]):[C:45]([H:75]):[C:46]([H:76]):[C:47]([H:77]):[C:48]:2[H:78])([H:79])[H:80])([H:81])[H:82])([H:54])[O:20][C@@:21]([C:22]([O:23][H:55])([H:56])[H:57])([H:58])[C@:24]([O:25][H:59])([H:60])[C@@:26]([O:27][H:61])([H:62])[C@:28]1([O:29][H:63])[H:64].[H][O:18][P:15]([O:14][P:11]([O:10][C:9]([C@@:8]1([H:67])[O:7][C@:6]([N:5]2:[C:4]([H:50]):[C:3]([H:49]):[C:2](=[O:1]):[N:36]([H:72]):[C:34]:2=[O:35])([H:51])[C@@:32]([O:33][H:70])([H:71])[C@@:30]1([O:31][H:68])[H:69])([H:65])[H:66])(=[O:12])[O:13][H:52])(=[O:16])[O:17][H:53]
Derived Operators
EVODEX.1-E237 - Reaction Operator E
[#16:22](-[#6@:21])-[H].[#15:39]-[#8:42]-[#6@@:43](-[H:84])(-[#8:44])-[#6@:52]>>[#16:22](-[#6@:21])-[#6@:43](-[H:84])(-[#8:44])-[#6@:52].[#15:39]-[#8:42]-[H]
EVODEX.1-C381 - Reaction Operator C
[H]-[#16:48].([#8:67]-[#6:68].[#6@:77]-[#6@:79])>>[#16:48]-[#6:68].([H]-[#8:67].[#6@@:79]-[#6@@:77])
EVODEX.1-N1092 - Reaction Operator N
[H]-[#16:5]-[#6:4].([#15:22]-[#8:25]-[#6@@:26](-[H:58])(-[#8:27])-[#6@:35].[#8:38]-[#6@@:37](-[#6@@:15])(-[H:73])-[#6@:39](-[#6@:13])(-[#8:40])-[H:75])>>[#6:4]-[#16:5]-[#6@@:26](-[H:58])(-[#8:27])-[#6@:35].([H]-[#8:25]-[#15:22].[#8:40]-[#6@:39](-[#6@:13])(-[H:75])-[#6@@:37](-[#6@@:15])(-[#8:38])-[H:73])
EVODEX.1-Em496 - Reaction Operator Em
[H]-[#16:22]-[#6:21].[#15:39]-[#8:42]-[#6:43](-[#8:44])-[#6:52]>>[#6:21]-[#16:22]-[#6:43](-[#8:44])-[#6:52].[H]-[#8:42]-[#15:39]
EVODEX.1-Nm447 - Reaction Operator Nm
[H]-[#16:22]-[#6:21].[#15:39]-[#8:42]-[#6:43](-[#8:44])-[#6:52]>>[#6:21]-[#16:22]-[#6:43](-[#8:44])-[#6:52].[H]-[#8:42]-[#15:39]
Source Full Reactions
EVODEX.1-R3052
[O:1]=[C:2]1:[C:3]([H:49]):[C:4]([H:50]):[N:5]([C@:6]2([H:51])[O:7][C@@:8]([C:9]([O:10][P:11](=[O:12])([O:13][H:52])[O:14][P:15](=[O:16])([O:17][H:53])[O:18][C@@:19]3([H:54])[O:20][C@@:21]([C:22]([O:23][H:55])([H:56])[H:57])([H:58])[C@:24]([O:25][H:59])([H:60])[C@@:26]([O:27][H:61])([H:62])[C@:28]3([O:29][H:63])[H:64])([H:65])[H:66])([H:67])[C@:30]([O:31][H:68])([H:69])[C@:32]2([O:33][H:70])[H:71]):[C:34](=[O:35]):[N:36]:1[H:72].[H][S:40][C:39](=[N:38][O:37][H:83])[C:41]([C:42]([C:43]1:[C:44]([H:74]):[C:45]([H:75]):[C:46]([H:76]):[C:47]([H:77]):[C:48]:1[H:78])([H:79])[H:80])([H:81])[H:82]>>[C@:19]1([S:40][C:39](=[N:38][O:37][H:83])[C:41]([C:42]([C:43]2:[C:44]([H:74]):[C:45]([H:75]):[C:46]([H:76]):[C:47]([H:77]):[C:48]:2[H:78])([H:79])[H:80])([H:81])[H:82])([H:54])[O:20][C@@:21]([C:22]([O:23][H:55])([H:56])[H:57])([H:58])[C@:24]([O:25][H:59])([H:60])[C@@:26]([O:27][H:61])([H:62])[C@:28]1([O:29][H:63])[H:64].[H][O:18][P:15]([O:14][P:11]([O:10][C:9]([C@@:8]1([H:67])[O:7][C@:6]([N:5]2:[C:4]([H:50]):[C:3]([H:49]):[C:2](=[O:1]):[N:36]([H:72]):[C:34]:2=[O:35])([H:51])[C@@:32]([O:33][H:70])([H:71])[C@@:30]1([O:31][H:68])[H:69])([H:65])[H:66])(=[O:12])[O:13][H:52])(=[O:16])[O:17][H:53]