SMIRKS
[C:1]([C@:2]([N:3]([C:4](=[O:5])[C@:6]([C:7]([H:41])([H:42])[H:43])([N:8]([C:9](=[O:10])[C@:11]([C:12]([C:13]([C:14]([C:15]([N:16]([H:44])[H:45])([H:46])[H:47])([H:48])[H:49])([H:50])[H:51])([H:52])[H:53])([N:17]([C:18](=[O:19])[C@:20]([C:21]([H:54])([H:55])[H:56])([N:22]([C:23](=[O:24])[C@:25]([C:26]([H:57])([H:58])[H:59])([N:27]([C:28](=[O:29])[C@@:30]([N:31]([H:60])[H:61])([C:32]([C:33]([C:34]([C:35]([N:36]([H:62])[H:63])([H:64])[H:65])([H:66])[H:67])([H:68])[H:69])([H:70])[H:71])[H:72])[H:73])[H:74])[H:75])[H:76])[H:77])[H:78])[H:79])[H:80])[H:81])([C:37](=[O:38])[O:39][H:82])[H:83])([H:84])([H:85])[H:86].[H][O:40][H:87]>>[C:23](=[O:24])([C@:25]([C:26]([H:57])([H:58])[H:59])([N:27]([C:28](=[O:29])[C@@:30]([N:31]([H:60])[H:61])([C:32]([C:33]([C:34]([C:35]([N:36]([H:62])[H:63])([H:64])[H:65])([H:66])[H:67])([H:68])[H:69])([H:70])[H:71])[H:72])[H:73])[H:74])[O:40][H:87].[H][N:22]([C:20]([C:18]([N:17]([C@:11]([C:9]([N:8]([C@:6]([C:4]([N:3]([C@@:2]([C:1]([H:84])([H:85])[H:86])([C:37](=[O:38])[O:39][H:82])[H:83])[H:81])=[O:5])([C:7]([H:41])([H:42])[H:43])[H:80])[H:79])=[O:10])([C:12]([C:13]([C:14]([C:15]([N:16]([H:44])[H:45])([H:46])[H:47])([H:48])[H:49])([H:50])[H:51])([H:52])[H:53])[H:78])[H:77])=[O:19])([C:21]([H:54])([H:55])[H:56])[H:76])[H:75]
Derived Operators
EVODEX.1-E248 - Reaction Operator E
[#6:1]-[#6:2](=[#8:3])-[#7:4](-[#6:5](-[#6:6])(-[#6:7])-[H:28])-[H:29].[#8:15](-[H:33])-[H]>>[#6:1]-[#6:2](=[#8:3])-[#8:15]-[H:33].[#7:4](-[#6@@:5](-[#6:6])(-[#6:7])-[H:28])(-[H:29])-[H]
EVODEX.1-C610 - Reaction Operator C
([#7:25](-[#6@:14])-[#6:26].[#6@:5]).[H]-[#8:70]>>[#6:26]-[#8:70].([H]-[#7:25]-[#6:14].[#6@@:5])
EVODEX.1-N1389 - Reaction Operator N
([#6:4]-[#6@:5](-[#7:6])(-[#6:67])-[H:130].[#6:12]-[#6@:14](-[#6:15])(-[#7:25](-[#6:26](=[#8:27])-[#6@:28])-[H:124])-[H:125]).[H]-[#8:70]-[H:137]>>[#6:26](=[#8:27])(-[#6@:28])-[#8:70]-[H:137].([H]-[#7:25](-[#6:14](-[#6:12])(-[#6:15])-[H:125])-[H:124].[#7:6]-[#6@@:5](-[#6:4])(-[#6:67])-[H:130])
EVODEX.1-Em51 - Reaction Operator Em
[#6:5]-[#6:6](=[#8:7])-[#7:8]-[#6:9].[H]-[#8:15]>>[#6:5]-[#6:6](=[#8:7])-[#8:15].[H]-[#7:8]-[#6:9]
EVODEX.1-Nm49 - Reaction Operator Nm
[#6:7]-[#6:8](=[#8:9])-[#7:10]-[#6:11].[H]-[#8:23]>>[#6:7]-[#6:8](=[#8:9])-[#8:23].[H]-[#7:10]-[#6:11]
Source Full Reactions
EVODEX.1-R5661
[C:1]([C@:2]([N:3]([C:4](=[O:5])[C@:6]([C:7]([H:41])([H:42])[H:43])([N:8]([C:9](=[O:10])[C@:11]([C:12]([C:13]([C:14]([C:15]([N:16]([H:44])[H:45])([H:46])[H:47])([H:48])[H:49])([H:50])[H:51])([H:52])[H:53])([N:17]([C:18](=[O:19])[C@:20]([C:21]([H:54])([H:55])[H:56])([N:22]([C:23](=[O:24])[C@:25]([C:26]([H:57])([H:58])[H:59])([N:27]([C:28](=[O:29])[C@@:30]([N:31]([H:60])[H:61])([C:32]([C:33]([C:34]([C:35]([N:36]([H:62])[H:63])([H:64])[H:65])([H:66])[H:67])([H:68])[H:69])([H:70])[H:71])[H:72])[H:73])[H:74])[H:75])[H:76])[H:77])[H:78])[H:79])[H:80])[H:81])([C:37](=[O:38])[O:39][H:82])[H:83])([H:84])([H:85])[H:86].[H][O:40][H:87]>>[C:23](=[O:24])([C@:25]([C:26]([H:57])([H:58])[H:59])([N:27]([C:28](=[O:29])[C@@:30]([N:31]([H:60])[H:61])([C:32]([C:33]([C:34]([C:35]([N:36]([H:62])[H:63])([H:64])[H:65])([H:66])[H:67])([H:68])[H:69])([H:70])[H:71])[H:72])[H:73])[H:74])[O:40][H:87].[H][N:22]([C:20]([C:18]([N:17]([C@:11]([C:9]([N:8]([C@:6]([C:4]([N:3]([C@@:2]([C:1]([H:84])([H:85])[H:86])([C:37](=[O:38])[O:39][H:82])[H:83])[H:81])=[O:5])([C:7]([H:41])([H:42])[H:43])[H:80])[H:79])=[O:10])([C:12]([C:13]([C:14]([C:15]([N:16]([H:44])[H:45])([H:46])[H:47])([H:48])[H:49])([H:50])[H:51])([H:52])[H:53])[H:78])[H:77])=[O:19])([C:21]([H:54])([H:55])[H:56])[H:76])[H:75]