SMIRKS
[C:1]([C:2](=[O:3])[C:4]([C:5]([C:6]([C:7]([C:8](=[O:9])[O:10][H:56])([H:57])[H:58])([H:59])[H:60])([H:61])[H:62])([H:63])[H:64])([H:65])([H:66])[H:67]>>[H]N([H])[C@@:2]([H])([C:1]([H:65])([H:66])[H:67])[C:4]([C:5]([C:6]([C:7]([C:8](=[O:9])[O:10][H:56])([H:57])[H:58])([H:59])[H:60])([H:61])[H:62])([H:63])[H:64].[H][O:3][H]
Derived Operators
EVODEX.1-M70 - Mass Difference
19.04225
EVODEX.1-E887 - Reaction Operator E
[#8:46]=[#6:47](-[#6:48])-[#6:50]>>[#7](-[#6@:47](-[#6:48])(-[#6:50])-[H])(-[H])-[H].[#8:46](-[H])-[H]
EVODEX.1-N36 - Reaction Operator N
[#6:3]-[#6:5](=[#8:6])-[#6:7]>>[H]-[#7](-[H])-[#6@:5](-[H])(-[#6:3])-[#6:7].[H]-[#8:6]-[H]
EVODEX.1-Em334 - Reaction Operator Em
[#8:46]=[#6:47](-[#6:48])-[#6:52]>>[H]-[#7](-[H])-[#6:47](-[H])(-[#6:48])-[#6:52].[H]-[#8:46]-[H]
EVODEX.1-Nm108 - Reaction Operator Nm
[#6:3]-[#6:5](=[#8:6])-[#6:7]>>[H]-[#7](-[H])-[#6:5](-[H])(-[#6:3])-[#6:7].[H]-[#8:6]-[H]
Source Full Reactions
EVODEX.1-R880
[C:1]([C:2](=[O:3])[C:4]([C:5]([C:6]([C:7]([C:8](=[O:9])[O:10][H:56])([H:57])[H:58])([H:59])[H:60])([H:61])[H:62])([H:63])[H:64])([H:65])([H:66])[H:67].[HH].[H][C:55]1([H:93])[C:15]([C:13]([N:12]([H:95])[H:96])=[O:14])=[C:16]([H:68])[N:17]([C@:18]2([H:69])[O:19][C@@:20]([C:21]([O:22][P:23](=[O:24])([O:25][H:70])[O:26][P:27](=[O:28])([O:29][H:71])[O:30][C:31]([C@@:32]3([H:72])[O:33][C@:34]([N:35]4:[C:36]([H:73]):[N:37]:[C:38]5:[C:39]([N:40]([H:74])[H:75]):[N:41]:[C:42]([H:76]):[N:43]:[C:44]:4:5)([H:77])[C@@:45]([O:46][H:78])([H:79])[C@@:47]3([O:48][H:80])[H:81])([H:82])[H:83])([H:84])[H:85])([H:86])[C@:49]([O:50][H:87])([H:88])[C@:51]2([O:52][H:89])[H:90])[C:53]([H:91])=[C:54]1[H:92].[H][N:11]([H:97])[H:98]>>[H][C@:2]([C:1]([H:65])([H:66])[H:67])([C:4]([C:5]([C:6]([C:7]([C:8](=[O:9])[O:10][H:56])([H:57])[H:58])([H:59])[H:60])([H:61])[H:62])([H:63])[H:64])[N:11]([H:97])[H:98].[N:12]([C:13](=[O:14])[C:15]1:[C:16]([H:68]):[N+:17]([C@:18]2([H:69])[O:19][C@@:20]([C:21]([O:22][P:23](=[O:24])([O:25][H:70])[O:26][P:27](=[O:28])([O:29][H:71])[O:30][C:31]([C@@:32]3([H:72])[O:33][C@:34]([N:35]4:[C:36]([H:73]):[N:37]:[C:38]5:[C:39]([N:40]([H:74])[H:75]):[N:41]:[C:42]([H:76]):[N:43]:[C:44]:4:5)([H:77])[C@@:45]([O:46][H:78])([H:79])[C@@:47]3([O:48][H:80])[H:81])([H:82])[H:83])([H:84])[H:85])([H:86])[C@:49]([O:50][H:87])([H:88])[C@:51]2([O:52][H:89])[H:90]):[C:53]([H:91]):[C:54]([H:92]):[C:55]:1[H:93])([H:95])[H:96].[H][O:3][H]