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EVODEX.1-P492

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H][N:51]([C:50](=[O:49])[C:60]1:[C:61]([H:112]):[C:62]([H:113]):[C:63]([Cl:64]):[C:65]([H:114]):[C:66]:1[H:115])[C:52]([C:53]([N:54]1[C:55]([H:99])([H:100])[C:56]([H:101])([H:102])[O:57][C:58]([H:103])([H:104])[C:59]1([H:105])[H:106])([H:107])[H:108])([H:109])[H:110]>>[H]O[N:51]([C:50](=[O:49])[C:60]1:[C:61]([H:112]):[C:62]([H:113]):[C:63]([Cl:64]):[C:65]([H:114]):[C:66]:1[H:115])[C:52]([C:53]([N:54]1[C:55]([H:99])([H:100])[C:56]([H:101])([H:102])[O:57][C:58]([H:103])([H:104])[C:59]1([H:105])[H:106])([H:107])[H:108])([H:109])[H:110]

Derived Operators

EVODEX.1-F10 - Elemental Balance

O1

EVODEX.1-M6 - Mass Difference

15.9949

EVODEX.1-E411 - Reaction Operator E

Reaction Operator E SMIRKS

[#6:50]-[#7:51](-[H])-[#6:52]>>[#6:50]-[#7:51](-[#8]-[H])-[#6:52]

EVODEX.1-C213 - Reaction Operator C

Reaction Operator C SMIRKS

[H]-[#7:8]>>[H]-[#8]-[#7:8]

EVODEX.1-N189 - Reaction Operator N

Reaction Operator N SMIRKS

[H]-[#7:8](-[#6:6])-[#6@@:9]>>[H]-[#8]-[#7:8](-[#6:6])-[#6@@:9]

EVODEX.1-Em271 - Reaction Operator Em

Reaction Operator Em SMIRKS

[H]-[#7:8](-[#6:6])-[#6:9]>>[H]-[#8]-[#7:8](-[#6:6])-[#6:9]

EVODEX.1-Cm191 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[H]-[#7:8]>>[#8]-[#7:8]

EVODEX.1-Nm269 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[H]-[#7:8](-[#6:6])-[#6:9]>>[H]-[#8]-[#7:8](-[#6:6])-[#6:9]

Source Full Reactions

EVODEX.1-R470

Full Reaction Rendering

[HH].[H][C:48]1([H:95])[C:4]([C:2]([N:1]([H:97])[H:98])=[O:3])=[C:5]([H:69])[N:6]([C@:7]2([H:70])[O:8][C@@:9]([C:10]([O:11][P:12](=[O:13])([O:14][H:71])[O:15][P:16](=[O:17])([O:18][H:72])[O:19][C:20]([C@@:21]3([H:73])[O:22][C@:23]([N:24]4:[C:25]([H:74]):[N:26]:[C:27]5:[C:28]([N:29]([H:75])[H:76]):[N:30]:[C:31]([H:77]):[N:32]:[C:33]:4:5)([H:78])[C@@:34]([O:35][P:36](=[O:37])([O:38][H:79])[O:39][H:80])([H:81])[C@@:40]3([O:41][H:82])[H:83])([H:84])[H:85])([H:86])[H:87])([H:88])[C@:42]([O:43][H:89])([H:90])[C@:44]2([O:45][H:91])[H:92])[C:46]([H:93])=[C:47]1[H:94].[H][N:51]([C:50](=[O:49])[C:60]1:[C:61]([H:112]):[C:62]([H:113]):[C:63]([Cl:64]):[C:65]([H:114]):[C:66]:1[H:115])[C:52]([C:53]([N:54]1[C:55]([H:99])([H:100])[C:56]([H:101])([H:102])[O:57][C:58]([H:103])([H:104])[C:59]1([H:105])[H:106])([H:107])[H:108])([H:109])[H:110].[O:67]=[O:68]>>[N:1]([C:2](=[O:3])[C:4]1:[C:5]([H:69]):[N+:6]([C@:7]2([H:70])[O:8][C@@:9]([C:10]([O:11][P:12](=[O:13])([O:14][H:71])[O:15][P:16](=[O:17])([O:18][H:72])[O:19][C:20]([C@@:21]3([H:73])[O:22][C@:23]([N:24]4:[C:25]([H:74]):[N:26]:[C:27]5:[C:28]([N:29]([H:75])[H:76]):[N:30]:[C:31]([H:77]):[N:32]:[C:33]:4:5)([H:78])[C@@:34]([O:35][P:36](=[O:37])([O:38][H:79])[O:39][H:80])([H:81])[C@@:40]3([O:41][H:82])[H:83])([H:84])[H:85])([H:86])[H:87])([H:88])[C@:42]([O:43][H:89])([H:90])[C@:44]2([O:45][H:91])[H:92]):[C:46]([H:93]):[C:47]([H:94]):[C:48]:1[H:95])([H:97])[H:98].[H][O:67][N:51]([C:50](=[O:49])[C:60]1:[C:61]([H:112]):[C:62]([H:113]):[C:63]([Cl:64]):[C:65]([H:114]):[C:66]:1[H:115])[C:52]([C:53]([N:54]1[C:55]([H:99])([H:100])[C:56]([H:101])([H:102])[O:57][C:58]([H:103])([H:104])[C:59]1([H:105])[H:106])([H:107])[H:108])([H:109])[H:110].[H][O:68][H]