SMIRKS
[H][N:51]1[C:50](=[O:49])[C:59]([O:60][H:98])([H:99])[O:58][C:57]2:[C:52]1:[C:53]([H:94]):[C:54]([H:95]):[C:55]([H:96]):[C:56]:2[H:97].[O:61]=[O:62]>>[H][O:61][N:51]1[C:50](=[O:49])[C:59]([O:60][H:98])([H:99])[O:58][C:57]2:[C:52]1:[C:53]([H:94]):[C:54]([H:95]):[C:55]([H:96]):[C:56]:2[H:97].[H][O:62][H]
Derived Operators
EVODEX.1-M3 - Mass Difference
2.01566
EVODEX.1-E19 - Reaction Operator E
[#6:50]-[#7:51](-[H])-[#6:52].[#8:61]=[#8:62]>>[#6:50]-[#7:51](-[#8:61]-[H])-[#6:52].[#8:62](-[H])-[H]
EVODEX.1-C210 - Reaction Operator C
[H]-[#7:51].[#8:61]=[#8:62]>>[H]-[#8:61]-[#7:51].[H]-[#8:62]-[H]
EVODEX.1-N179 - Reaction Operator N
[H]-[#7:51](-[#6:50])-[#6:52].[#8:61]=[#8:62]>>[H]-[#8:61]-[#7:51](-[#6:50])-[#6:52].[H]-[#8:62]-[H]
EVODEX.1-Em261 - Reaction Operator Em
[H]-[#7:51](-[#6:50])-[#6:52].[#8:61]=[#8:62]>>[H]-[#8:61]-[#7:51](-[#6:50])-[#6:52].[H]-[#8:62]-[H]
EVODEX.1-Cm188 - Reaction Operator Cm
[H]-[#7:51].[#8:61]=[#8:62]>>[H]-[#8:61]-[#7:51].[H]-[#8:62]-[H]
EVODEX.1-Nm259 - Reaction Operator Nm
[H]-[#7:51](-[#6:50])-[#6:52].[#8:61]=[#8:62]>>[H]-[#8:61]-[#7:51](-[#6:50])-[#6:52].[H]-[#8:62]-[H]
Source Full Reactions
EVODEX.1-R495
[HH].[H][C:48]1([H:89])[C:4]([C:2]([N:1]([H:91])[H:92])=[O:3])=[C:5]([H:63])[N:6]([C@:7]2([H:64])[O:8][C@@:9]([C:10]([O:11][P:12](=[O:13])([O:14][H:65])[O:15][P:16](=[O:17])([O:18][H:66])[O:19][C:20]([C@@:21]3([H:67])[O:22][C@:23]([N:24]4:[C:25]([H:68]):[N:26]:[C:27]5:[C:28]([N:29]([H:69])[H:70]):[N:30]:[C:31]([H:71]):[N:32]:[C:33]:4:5)([H:72])[C@@:34]([O:35][P:36](=[O:37])([O:38][H:73])[O:39][H:74])([H:75])[C@@:40]3([O:41][H:76])[H:77])([H:78])[H:79])([H:80])[H:81])([H:82])[C@:42]([O:43][H:83])([H:84])[C@:44]2([O:45][H:85])[H:86])[C:46]([H:87])=[C:47]1[H:88].[H][N:51]1[C:50](=[O:49])[C:59]([O:60][H:98])([H:99])[O:58][C:57]2:[C:52]1:[C:53]([H:94]):[C:54]([H:95]):[C:55]([H:96]):[C:56]:2[H:97].[O:61]=[O:62]>>[N:1]([C:2](=[O:3])[C:4]1:[C:5]([H:63]):[N+:6]([C@:7]2([H:64])[O:8][C@@:9]([C:10]([O:11][P:12](=[O:13])([O:14][H:65])[O:15][P:16](=[O:17])([O:18][H:66])[O:19][C:20]([C@@:21]3([H:67])[O:22][C@:23]([N:24]4:[C:25]([H:68]):[N:26]:[C:27]5:[C:28]([N:29]([H:69])[H:70]):[N:30]:[C:31]([H:71]):[N:32]:[C:33]:4:5)([H:72])[C@@:34]([O:35][P:36](=[O:37])([O:38][H:73])[O:39][H:74])([H:75])[C@@:40]3([O:41][H:76])[H:77])([H:78])[H:79])([H:80])[H:81])([H:82])[C@:42]([O:43][H:83])([H:84])[C@:44]2([O:45][H:85])[H:86]):[C:46]([H:87]):[C:47]([H:88]):[C:48]:1[H:89])([H:91])[H:92].[H][O:61][N:51]1[C:50](=[O:49])[C:59]([O:60][H:98])([H:99])[O:58][C:57]2:[C:52]1:[C:53]([H:94]):[C:54]([H:95]):[C:55]([H:96]):[C:56]:2[H:97].[H][O:62][H]