SMIRKS
[C:1]([C:2]([C:3]([H:45])([H:46])[H:47])([C:4]([C@:5]([N:6]([C:7](=[O:8])[C@@:9]([N:10]([H:48])[H:49])([C:11]([C:12]([C:13]([N:14]([H:50])[H:51])([H:52])[H:53])([H:54])[H:55])([H:56])[H:57])[H:58])[H:59])([C:15](=[O:16])[N:17]([C@:18]([C:19]([C:20]1:[C:21]([H:60]):[C:22]([H:61]):[C:23]([H:62]):[C:24]([H:63]):[C:25]:1[H:64])([H:65])[H:66])([C:26](=[O:27])[N:28]1[C:29]([H:67])([H:68])[C:30]([H:69])([H:70])[C:31]([H:71])([H:72])[C@:32]1([C:33](=[O:34])[N:35]([C@:36]([C:37](=[O:38])[O:39][H:73])([C:40]([C:41]([H:74])([H:75])[H:76])([C:42]([H:77])([H:78])[H:79])[H:80])[H:81])[H:82])[H:83])[H:84])[H:85])[H:86])([H:87])[H:88])[H:89])([H:90])([H:91])[H:92]>>[H]O[C:7](=[O:8])[C@@:9]([N:10]([H:48])[H:49])([C:11]([C:12]([C:13]([N:14]([H:50])[H:51])([H:52])[H:53])([H:54])[H:55])([H:56])[H:57])[H:58].[H]O[C:33]([C@@:32]1([H:83])[N:28]([C:26]([C@:18]([N:17]([C:15]([C@:5]([C:4]([C:2]([C:1]([H:90])([H:91])[H:92])([C:3]([H:45])([H:46])[H:47])[H:89])([H:87])[H:88])([N:6]([H])[H:59])[H:86])=[O:16])[H:85])([C:19]([C:20]2:[C:21]([H:60]):[C:22]([H:61]):[C:23]([H:62]):[C:24]([H:63]):[C:25]:2[H:64])([H:65])[H:66])[H:84])=[O:27])[C:29]([H:67])([H:68])[C:30]([H:69])([H:70])[C:31]1([H:71])[H:72])=[O:34].[H][N:35]([C@:36]([C:37](=[O:38])[O:39][H:73])([C:40]([C:41]([H:74])([H:75])[H:76])([C:42]([H:77])([H:78])[H:79])[H:80])[H:81])[H:82]
Derived Operators
EVODEX.1-M21 - Mass Difference
36.021119999999996
EVODEX.1-E869 - Reaction Operator E
([#7:6](-[#6@:5])(-[#6:7](=[#8:8])-[#6@:9])-[H:83].[#6:40](-[#6@@:32])(=[#8:41])-[#7:42](-[#6@@:43])-[H:108])>>[#6:7](=[#8:8])(-[#6@:9])-[#8]-[H].([#7:6](-[#6@:5])(-[H:83])-[H].[#6:40](-[#6@@:32])(=[#8:41])-[#8]-[H]).[#7:42](-[#6@@:43])(-[H:108])-[H]
EVODEX.1-C1132 - Reaction Operator C
([#7:6]-[#6:7].[#6:62](-[#6@:61])-[#7:64])>>[H]-[#8]-[#6:7].([H]-[#8]-[#6:62]-[#6@@:61].[#7:6]-[H]).[H]-[#7:64]
EVODEX.1-N1402 - Reaction Operator N
([#7:6](-[#6@:5])(-[#6:7](=[#8:8])-[#6@:9])-[H:135].[#7:57]-[#6@@:61](-[#6:60])(-[#6:62](=[#8:63])-[#7:64](-[#6@@:65])-[H:174])-[H:175])>>[H]-[#8]-[#6:7](=[#8:8])-[#6@:9].([H]-[#8]-[#6:62](-[#6@@:61](-[H:175])(-[#7:57])-[#6:60])=[#8:63].[#7:6](-[#6@:5])(-[H])-[H:135]).[H]-[#7:64](-[#6@@:65])-[H:174]
EVODEX.1-Em650 - Reaction Operator Em
([#6:5]-[#7:6]-[#6:7](=[#8:8])-[#6:9].[#6:61]-[#6:62](=[#8:63])-[#7:64]-[#6:65])>>[H]-[#8]-[#6:7](=[#8:8])-[#6:9].([H]-[#8]-[#6:62](-[#6:61])=[#8:63].[#6:5]-[#7:6]-[H]).[H]-[#7:64]-[#6:65]
EVODEX.1-Cm154 - Reaction Operator Cm
([#7:6]-[#6:7].[#6:62]-[#7:64])>>[#8]-[#6:7].([#8]-[#6:62].[#7:6]-[H]).[H]-[#7:64]
EVODEX.1-Nm583 - Reaction Operator Nm
([#6:5]-[#7:6]-[#6:7](=[#8:8])-[#6:9].[#6:61]-[#6:62](=[#8:63])-[#7:64]-[#6:65])>>[H]-[#8]-[#6:7](=[#8:8])-[#6:9].([H]-[#8]-[#6:62](-[#6:61])=[#8:63].[#6:5]-[#7:6]-[H]).[H]-[#7:64]-[#6:65]
Source Full Reactions
EVODEX.1-R6095
[C:1]([C:2]([C:3]([H:45])([H:46])[H:47])([C:4]([C@:5]([N:6]([C:7](=[O:8])[C@@:9]([N:10]([H:48])[H:49])([C:11]([C:12]([C:13]([N:14]([H:50])[H:51])([H:52])[H:53])([H:54])[H:55])([H:56])[H:57])[H:58])[H:59])([C:15](=[O:16])[N:17]([C@:18]([C:19]([C:20]1:[C:21]([H:60]):[C:22]([H:61]):[C:23]([H:62]):[C:24]([H:63]):[C:25]:1[H:64])([H:65])[H:66])([C:26](=[O:27])[N:28]1[C:29]([H:67])([H:68])[C:30]([H:69])([H:70])[C:31]([H:71])([H:72])[C@:32]1([C:33](=[O:34])[N:35]([C@:36]([C:37](=[O:38])[O:39][H:73])([C:40]([C:41]([H:74])([H:75])[H:76])([C:42]([H:77])([H:78])[H:79])[H:80])[H:81])[H:82])[H:83])[H:84])[H:85])[H:86])([H:87])[H:88])[H:89])([H:90])([H:91])[H:92].[H][O:43][H:93].[H][O:44][H:95]>>[C:7](=[O:8])([C@@:9]([N:10]([H:48])[H:49])([C:11]([C:12]([C:13]([N:14]([H:50])[H:51])([H:52])[H:53])([H:54])[H:55])([H:56])[H:57])[H:58])[O:43][H:93].[H][N:6]([C@@:5]([C:4]([C:2]([C:1]([H:90])([H:91])[H:92])([C:3]([H:45])([H:46])[H:47])[H:89])([H:87])[H:88])([C:15](=[O:16])[N:17]([C@:18]([C:19]([C:20]1:[C:21]([H:60]):[C:22]([H:61]):[C:23]([H:62]):[C:24]([H:63]):[C:25]:1[H:64])([H:65])[H:66])([C:26](=[O:27])[N:28]1[C:29]([H:67])([H:68])[C:30]([H:69])([H:70])[C:31]([H:71])([H:72])[C@:32]1([C:33](=[O:34])[O:44][H:95])[H:83])[H:84])[H:85])[H:86])[H:59].[H][N:35]([C@:36]([C:37](=[O:38])[O:39][H:73])([C:40]([C:41]([H:74])([H:75])[H:76])([C:42]([H:77])([H:78])[H:79])[H:80])[H:81])[H:82]