SMIRKS
[C:1]([C:2](=[O:3])[C:4](=[O:5])[O:6][H:58])([H:59])([H:60])[H:61].[H][N:51]([C:52]([C:53]([S:54](=[O:55])(=[O:56])[O:57][H:62])([H:63])[H:64])([H:65])[H:66])[H:67]>>[H][C@@:2]([C:1]([H:59])([H:60])[H:61])([C:4](=[O:5])[O:6][H:58])[N:51]([C:52]([C:53]([S:54](=[O:55])(=[O:56])[O:57][H:62])([H:63])[H:64])([H:65])[H:66])[H:67].[H][O:3][H]
Derived Operators
EVODEX.1-M3 - Mass Difference
2.01566
EVODEX.1-E28 - Reaction Operator E
[#7:45](-[#6:46])(-[H:106])-[H].[#6:59]-[#6:60](=[#8:61])-[#6:62]=[#8:63]>>[#7:45](-[#6:46])(-[#6@@:60](-[#6:59])(-[#6:62]=[#8:63])-[H])-[H:106].[#8:61](-[H])-[H]
EVODEX.1-N47 - Reaction Operator N
[H]-[#7:49](-[#6:50])-[H:105].[#6:59]-[#6:61](=[#8:62])-[#6:63]>>[H]-[#6:61](-[#7:49](-[#6:50])-[H:105])(-[#6:59])-[#6:63].[H]-[#8:62]-[H]
EVODEX.1-Em84 - Reaction Operator Em
[H]-[#7:49]-[#6:50].[#8:58]=[#6:59]-[#6:61](=[#8:62])-[#6:63]>>[H]-[#6:61](-[#7:49]-[#6:50])(-[#6:59]=[#8:58])-[#6:63].[H]-[#8:62]-[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-Nm120 - Reaction Operator Nm
[H]-[#7:49]-[#6:50].[#6:59]-[#6:61](=[#8:62])-[#6:63]>>[H]-[#6:61](-[#7:49]-[#6:50])(-[#6:59])-[#6:63].[H]-[#8:62]-[H]
Source Full Reactions
EVODEX.1-R1062
[C:1]([C:2](=[O:3])[C:4](=[O:5])[O:6][H:58])([H:59])([H:60])[H:61].[HH].[H][N:51]([C:52]([C:53]([S:54](=[O:55])(=[O:56])[O:57][H:62])([H:63])[H:64])([H:65])[H:66])[H:67].[H][C:50]1([H:94])[C:10]([C:8]([N:7]([H:96])[H:97])=[O:9])=[C:11]([H:69])[N:12]([C@:13]2([H:70])[O:14][C@@:15]([C:16]([O:17][P:18](=[O:19])([O:20][H:71])[O:21][P:22](=[O:23])([O:24][H:72])[O:25][C:26]([C@@:27]3([H:73])[O:28][C@:29]([N:30]4:[C:31]([H:74]):[N:32]:[C:33]5:[C:34]([N:35]([H:75])[H:76]):[N:36]:[C:37]([H:77]):[N:38]:[C:39]:4:5)([H:78])[C@@:40]([O:41][H:79])([H:80])[C@@:42]3([O:43][H:81])[H:82])([H:83])[H:84])([H:85])[H:86])([H:87])[C@:44]([O:45][H:88])([H:89])[C@:46]2([O:47][H:90])[H:91])[C:48]([H:92])=[C:49]1[H:93]>>[H][C@@:2]([C:1]([H:59])([H:60])[H:61])([C:4](=[O:5])[O:6][H:58])[N:51]([C:52]([C:53]([S:54](=[O:55])(=[O:56])[O:57][H:62])([H:63])[H:64])([H:65])[H:66])[H:67].[N:7]([C:8](=[O:9])[C:10]1:[C:11]([H:69]):[N+:12]([C@:13]2([H:70])[O:14][C@@:15]([C:16]([O:17][P:18](=[O:19])([O:20][H:71])[O:21][P:22](=[O:23])([O:24][H:72])[O:25][C:26]([C@@:27]3([H:73])[O:28][C@:29]([N:30]4:[C:31]([H:74]):[N:32]:[C:33]5:[C:34]([N:35]([H:75])[H:76]):[N:36]:[C:37]([H:77]):[N:38]:[C:39]:4:5)([H:78])[C@@:40]([O:41][H:79])([H:80])[C@@:42]3([O:43][H:81])[H:82])([H:83])[H:84])([H:85])[H:86])([H:87])[C@:44]([O:45][H:88])([H:89])[C@:46]2([O:47][H:90])[H:91]):[C:48]([H:92]):[C:49]([H:93]):[C:50]:1[H:94])([H:96])[H:97].[H][O:3][H]