SMIRKS
[H][N:49]([C:50]([C:51]([C:52]([C@:53]([N:54]([H:95])[H:96])([C:55](=[O:56])[O:57][H:97])[H:98])([H:99])[H:100])([H:101])[H:102])([H:103])[H:104])[H:105].[O:58]=[C:59]([O:60][H:107])[C:61](=[O:62])[C:63]([F:64])([H:108])[H:109]>>[H][C:61]([N:49]([C:50]([C:51]([C:52]([C@:53]([N:54]([H:95])[H:96])([C:55](=[O:56])[O:57][H:97])[H:98])([H:99])[H:100])([H:101])[H:102])([H:103])[H:104])[H:105])([C:59](=[O:58])[O:60][H:107])[C:63]([F:64])([H:108])[H:109].[H][O:62][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-R1068
[HH].[H][C:48]1([H:91])[C:4]([C:2]([N:1]([H:93])[H:94])=[O:3])=[C:5]([H:65])[N:6]([C@:7]2([H:66])[O:8][C@@:9]([C:10]([O:11][P:12](=[O:13])([O:14][H:67])[O:15][P:16](=[O:17])([O:18][H:68])[O:19][C:20]([C@@:21]3([H:69])[O:22][C@:23]([N:24]4:[C:25]([H:70]):[N:26]:[C:27]5:[C:28]([N:29]([H:71])[H:72]):[N:30]:[C:31]([H:73]):[N:32]:[C:33]:4:5)([H:74])[C@@:34]([O:35][P:36](=[O:37])([O:38][H:75])[O:39][H:76])([H:77])[C@@:40]3([O:41][H:78])[H:79])([H:80])[H:81])([H:82])[H:83])([H:84])[C@:42]([O:43][H:85])([H:86])[C@:44]2([O:45][H:87])[H:88])[C:46]([H:89])=[C:47]1[H:90].[H][N:49]([C:50]([C:51]([C:52]([C@:53]([N:54]([H:95])[H:96])([C:55](=[O:56])[O:57][H:97])[H:98])([H:99])[H:100])([H:101])[H:102])([H:103])[H:104])[H:105].[O:58]=[C:59]([O:60][H:107])[C:61](=[O:62])[C:63]([F:64])([H:108])[H:109]>>[N:1]([C:2](=[O:3])[C:4]1:[C:5]([H:65]):[N+:6]([C@:7]2([H:66])[O:8][C@@:9]([C:10]([O:11][P:12](=[O:13])([O:14][H:67])[O:15][P:16](=[O:17])([O:18][H:68])[O:19][C:20]([C@@:21]3([H:69])[O:22][C@:23]([N:24]4:[C:25]([H:70]):[N:26]:[C:27]5:[C:28]([N:29]([H:71])[H:72]):[N:30]:[C:31]([H:73]):[N:32]:[C:33]:4:5)([H:74])[C@@:34]([O:35][P:36](=[O:37])([O:38][H:75])[O:39][H:76])([H:77])[C@@:40]3([O:41][H:78])[H:79])([H:80])[H:81])([H:82])[H:83])([H:84])[C@:42]([O:43][H:85])([H:86])[C@:44]2([O:45][H:87])[H:88]):[C:46]([H:89]):[C:47]([H:90]):[C:48]:1[H:91])([H:93])[H:94].[H][C:61]([N:49]([C:50]([C:51]([C:52]([C@:53]([N:54]([H:95])[H:96])([C:55](=[O:56])[O:57][H:97])[H:98])([H:99])[H:100])([H:101])[H:102])([H:103])[H:104])[H:105])([C:59](=[O:58])[O:60][H:107])[C:63]([F:64])([H:108])[H:109].[H][O:62][H]