SMIRKS
[C:1]([C:2]([C:3]([C:4]([C:5]([C:6]([H:53])([H:54])[H:55])=[O:7])([H:56])[H:57])([H:58])[H:59])([H:60])[H:61])([H:62])([H:63])[H:64].[H][N:8]([H:94])[H:95]>>[H][C@:5]([C:4]([C:3]([C:2]([C:1]([H:62])([H:63])[H:64])([H:60])[H:61])([H:58])[H:59])([H:56])[H:57])([C:6]([H:53])([H:54])[H:55])[N:8]([H:94])[H:95].[H][O:7][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-R882
[C:1]([C:2]([C:3]([C:4]([C:5]([C:6]([H:53])([H:54])[H:55])=[O:7])([H:56])[H:57])([H:58])[H:59])([H:60])[H:61])([H:62])([H:63])[H:64].[HH].[H][C:52]1([H:90])[C:12]([C:10]([N:9]([H:92])[H:93])=[O:11])=[C:13]([H:65])[N:14]([C@:15]2([H:66])[O:16][C@@:17]([C:18]([O:19][P:20](=[O:21])([O:22][H:67])[O:23][P:24](=[O:25])([O:26][H:68])[O:27][C:28]([C@@:29]3([H:69])[O:30][C@:31]([N:32]4:[C:33]([H:70]):[N:34]:[C:35]5:[C:36]([N:37]([H:71])[H:72]):[N:38]:[C:39]([H:73]):[N:40]:[C:41]:4:5)([H:74])[C@@:42]([O:43][H:75])([H:76])[C@@:44]3([O:45][H:77])[H:78])([H:79])[H:80])([H:81])[H:82])([H:83])[C@:46]([O:47][H:84])([H:85])[C@:48]2([O:49][H:86])[H:87])[C:50]([H:88])=[C:51]1[H:89].[H][N:8]([H:94])[H:95]>>[H][C@:5]([C:4]([C:3]([C:2]([C:1]([H:62])([H:63])[H:64])([H:60])[H:61])([H:58])[H:59])([H:56])[H:57])([C:6]([H:53])([H:54])[H:55])[N:8]([H:94])[H:95].[N:9]([C:10](=[O:11])[C:12]1:[C:13]([H:65]):[N+:14]([C@:15]2([H:66])[O:16][C@@:17]([C:18]([O:19][P:20](=[O:21])([O:22][H:67])[O:23][P:24](=[O:25])([O:26][H:68])[O:27][C:28]([C@@:29]3([H:69])[O:30][C@:31]([N:32]4:[C:33]([H:70]):[N:34]:[C:35]5:[C:36]([N:37]([H:71])[H:72]):[N:38]:[C:39]([H:73]):[N:40]:[C:41]:4:5)([H:74])[C@@:42]([O:43][H:75])([H:76])[C@@:44]3([O:45][H:77])[H:78])([H:79])[H:80])([H:81])[H:82])([H:83])[C@:46]([O:47][H:84])([H:85])[C@:48]2([O:49][H:86])[H:87]):[C:50]([H:88]):[C:51]([H:89]):[C:52]:1[H:90])([H:92])[H:93].[H][O:7][H]