SMIRKS
[C:1]([C:2](=[O:3])[C:4]1:[C:5]([H:55]):[C:6]([H:56]):[C:7]([H:57]):[C:8]([H:58]):[C:9]:1[H:59])([H:60])([H:61])[H:62].[H][N:10]([H:92])[H:93]>>[H][C@@:2]([C:1]([H:60])([H:61])[H:62])([C:4]1:[C:5]([H:55]):[C:6]([H:56]):[C:7]([H:57]):[C:8]([H:58]):[C:9]:1[H:59])[N:10]([H:92])[H:93].[H][O:3][H]
Derived Operators
EVODEX.1-M3 - Mass Difference
2.01566
EVODEX.1-E20 - Reaction Operator E
[#7:1](-[H:86])(-[H:87])-[H].[#8:46]=[#6:47](-[#6:48])-[#6:50]>>[#7:1](-[#6@:47](-[#6:48])(-[#6:50])-[H])(-[H:86])-[H:87].[#8:46](-[H])-[H]
EVODEX.1-N37 - Reaction Operator N
[H]-[#7:1](-[H:87])-[H:88].[#6:8]-[#6:9](=[#8:10])-[#6:11]>>[H]-[#6@:9](-[#7:1](-[H:87])-[H:88])(-[#6:8])-[#6:11].[H]-[#8:10]-[H]
EVODEX.1-Em335 - Reaction Operator Em
[#6:1]-[#6:2](=[#8:3])-[#6:4].[H]-[#7:12]>>[H]-[#6:2](-[#6:1])(-[#6:4])-[#7:12].[H]-[#8:3]-[H]
EVODEX.1-Cm66 - Reaction Operator Cm
[H]-[#7:49].[#6:61]=[#8:62]>>[H]-[#6:61]-[#7:49].[H]-[#8:62]-[H]
EVODEX.1-Nm109 - Reaction Operator Nm
[H]-[#7:1].[#6:8]-[#6:9](=[#8:10])-[#6:11]>>[H]-[#6:9](-[#7:1])(-[#6:8])-[#6:11].[H]-[#8:10]-[H]
Source Full Reactions
EVODEX.1-R1012
[C:1]([C:2](=[O:3])[C:4]1:[C:5]([H:13]):[C:6]([H:14]):[C:7]([H:15]):[C:8]([H:16]):[C:9]:1[H:17])([H:18])([H:19])[H:20].[H][N:10]([H:21])[H:22].[H][O:11][O:12][H]>>[H][C:2]([C:1]([H:18])([H:19])[H:20])([C:4]1:[C:5]([H:13]):[C:6]([H:14]):[C:7]([H:15]):[C:8]([H:16]):[C:9]:1[H:17])[N:10]([H:21])[H:22].[O:11]=[O:12].[H][O:3][H]
EVODEX.1-R872
[C:1]([C:2](=[O:3])[C:4]1:[C:5]([H:55]):[C:6]([H:56]):[C:7]([H:57]):[C:8]([H:58]):[C:9]:1[H:59])([H:60])([H:61])[H:62].[HH].[H][C:54]1([H:88])[C:14]([C:12]([N:11]([H:90])[H:91])=[O:13])=[C:15]([H:63])[N:16]([C@:17]2([H:64])[O:18][C@@:19]([C:20]([O:21][P:22](=[O:23])([O:24][H:65])[O:25][P:26](=[O:27])([O:28][H:66])[O:29][C:30]([C@@:31]3([H:67])[O:32][C@:33]([N:34]4:[C:35]([H:68]):[N:36]:[C:37]5:[C:38]([N:39]([H:69])[H:70]):[N:40]:[C:41]([H:71]):[N:42]:[C:43]:4:5)([H:72])[C@@:44]([O:45][H:73])([H:74])[C@@:46]3([O:47][H:75])[H:76])([H:77])[H:78])([H:79])[H:80])([H:81])[C@:48]([O:49][H:82])([H:83])[C@:50]2([O:51][H:84])[H:85])[C:52]([H:86])=[C:53]1[H:87].[H][N:10]([H:92])[H:93]>>[H][C@@:2]([C:1]([H:60])([H:61])[H:62])([C:4]1:[C:5]([H:55]):[C:6]([H:56]):[C:7]([H:57]):[C:8]([H:58]):[C:9]:1[H:59])[N:10]([H:92])[H:93].[N:11]([C:12](=[O:13])[C:14]1:[C:15]([H:63]):[N+:16]([C@:17]2([H:64])[O:18][C@@:19]([C:20]([O:21][P:22](=[O:23])([O:24][H:65])[O:25][P:26](=[O:27])([O:28][H:66])[O:29][C:30]([C@@:31]3([H:67])[O:32][C@:33]([N:34]4:[C:35]([H:68]):[N:36]:[C:37]5:[C:38]([N:39]([H:69])[H:70]):[N:40]:[C:41]([H:71]):[N:42]:[C:43]:4:5)([H:72])[C@@:44]([O:45][H:73])([H:74])[C@@:46]3([O:47][H:75])[H:76])([H:77])[H:78])([H:79])[H:80])([H:81])[C@:48]([O:49][H:82])([H:83])[C@:50]2([O:51][H:84])[H:85]):[C:52]([H:86]):[C:53]([H:87]):[C:54]:1[H:88])([H:90])[H:91].[H][O:3][H]