SMIRKS
[C:1]([C:2]([C:3](=[O:4])[C:5]1:[C:6]([H:56]):[C:7]([H:57]):[C:8]([H:58]):[C:9]([H:59]):[C:10]:1[H:60])([H:61])[H:62])([H:63])([H:64])[H:65].[H][N:11]([H:95])[H:96]>>[H][C@@:3]([C:2]([C:1]([H:63])([H:64])[H:65])([H:61])[H:62])([C:5]1:[C:6]([H:56]):[C:7]([H:57]):[C:8]([H:58]):[C:9]([H:59]):[C:10]:1[H:60])[N:11]([H:95])[H:96].[H][O:4][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-R876
[C:1]([C:2]([C:3](=[O:4])[C:5]1:[C:6]([H:56]):[C:7]([H:57]):[C:8]([H:58]):[C:9]([H:59]):[C:10]:1[H:60])([H:61])[H:62])([H:63])([H:64])[H:65].[HH].[H][C:55]1([H:91])[C:15]([C:13]([N:12]([H:93])[H:94])=[O:14])=[C:16]([H:66])[N:17]([C@:18]2([H:67])[O:19][C@@:20]([C:21]([O:22][P:23](=[O:24])([O:25][H:68])[O:26][P:27](=[O:28])([O:29][H:69])[O:30][C:31]([C@@:32]3([H:70])[O:33][C@:34]([N:35]4:[C:36]([H:71]):[N:37]:[C:38]5:[C:39]([N:40]([H:72])[H:73]):[N:41]:[C:42]([H:74]):[N:43]:[C:44]:4:5)([H:75])[C@@:45]([O:46][H:76])([H:77])[C@@:47]3([O:48][H:78])[H:79])([H:80])[H:81])([H:82])[H:83])([H:84])[C@:49]([O:50][H:85])([H:86])[C@:51]2([O:52][H:87])[H:88])[C:53]([H:89])=[C:54]1[H:90].[H][N:11]([H:95])[H:96]>>[H][C@@:3]([C:2]([C:1]([H:63])([H:64])[H:65])([H:61])[H:62])([C:5]1:[C:6]([H:56]):[C:7]([H:57]):[C:8]([H:58]):[C:9]([H:59]):[C:10]:1[H:60])[N:11]([H:95])[H:96].[N:12]([C:13](=[O:14])[C:15]1:[C:16]([H:66]):[N+:17]([C@:18]2([H:67])[O:19][C@@:20]([C:21]([O:22][P:23](=[O:24])([O:25][H:68])[O:26][P:27](=[O:28])([O:29][H:69])[O:30][C:31]([C@@:32]3([H:70])[O:33][C@:34]([N:35]4:[C:36]([H:71]):[N:37]:[C:38]5:[C:39]([N:40]([H:72])[H:73]):[N:41]:[C:42]([H:74]):[N:43]:[C:44]:4:5)([H:75])[C@@:45]([O:46][H:76])([H:77])[C@@:47]3([O:48][H:78])[H:79])([H:80])[H:81])([H:82])[H:83])([H:84])[C@:49]([O:50][H:85])([H:86])[C@:51]2([O:52][H:87])[H:88]):[C:53]([H:89]):[C:54]([H:90]):[C:55]:1[H:91])([H:93])[H:94].[H][O:4][H]