Hydrochloric Acid → HCID 67185456, compound
Reaction equation
[B-:57]([F:58])([F:59])([F:60])[F:61].[CH3:50][CH2:51][N:52]([CH2:53][CH3:54])[CH2:55][CH3:56].[Cl:1][c:2]1[c:3](-[c:9]2[c:10](-[c:17]3[cH:18][cH:19][c:20]([O:23][CH2:24][CH2:25][CH2:26][O:27][CH:28]4[O:29][CH2:30][CH2:31][CH2:32][CH2:33]4)[cH:21][cH:22]3)[cH:11][c:12]([C:14](=[O:15])[OH:16])[s:13]2)[cH:4][cH:5][c:6]([F:8])[cH:7]1.[Cl:79][CH2:80][Cl:81].[ClH:34].[c:35]1([C:41]2([C:47](=[O:48])[NH2:49])[CH2:42][CH2:43][NH:44][CH2:45][CH2:46]2)[cH:36][cH:37][cH:38][cH:39][cH:40]1.[n:62]1([O:63][C:64]([N:65]([CH3:66])[CH3:67])=[N+:68]([CH3:69])[CH3:70])[c:71]2[cH:72][cH:73][cH:74][cH:75][c:76]2[n:77][n:78]1>>[Cl:1][c:2]1[c:3](-[c:9]2[c:10](-[c:17]3[cH:18][cH:19][c:20]([O:23][CH2:24][CH2:25][CH2:26][O:27][CH:28]4[O:29][CH2:30][CH2:31][CH2:32][CH2:33]4)[cH:21][cH:22]3)[cH:11][c:12]([C:14](=[O:16])[N:44]3[CH2:43][CH2:42][C:41]([c:35]4[cH:36][cH:37][cH:38][cH:39][cH:40]4)([C:47](=[O:48])[NH2:49])[CH2:46][CH2:45]3)[s:13]2)[cH:4][cH:5][c:6]([F:8])[cH:7]1Participants
8
Sources & evidence
- ORD record
- ord-1e103978e9a04a2a8082446e5c777e24
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
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