Hydrochloric Acid → HCID 9986282, compound
Reaction equation
[C:1](=[O:2])([OH:3])[c:4]1[cH:5][c:6]2[c:7]([CH2:14][c:15]3[c:16]([O:34][CH3:35])[cH:17][c:18]([C:19](=[O:20])[NH:21][S:22](=[O:23])(=[O:24])[c:25]4[c:26]([CH3:31])[cH:27][cH:28][cH:29][cH:30]4)[cH:32][cH:33]3)[cH:8][n:9]([CH3:13])[c:10]2[cH:11][cH:12]1.[CH3:37][CH:38]([CH2:39][NH2:40])[CH2:41][C:42]([F:43])([F:44])[F:45].[CH3:46][N:47]([CH3:48])[c:49]1[cH:50][cH:51][n:52][cH:53][cH:54]1.[CH3:60][CH2:61][O:62][C:63](=[O:64])[CH3:65].[ClH:36].[O:55]1[CH2:56][CH2:57][CH2:58][CH2:59]1>>[C:1](=[O:2])([c:4]1[cH:5][c:6]2[c:7]([CH2:14][c:15]3[c:16]([O:34][CH3:35])[cH:17][c:18]([C:19](=[O:20])[NH:21][S:22](=[O:23])(=[O:24])[c:25]4[c:26]([CH3:31])[cH:27][cH:28][cH:29][cH:30]4)[cH:32][cH:33]3)[cH:8][n:9]([CH3:13])[c:10]2[cH:11][cH:12]1)[NH:40][CH2:39][CH:38]([CH3:37])[CH2:41][C:42]([F:43])([F:44])[F:45]Participants
7
Sources & evidence
- ORD record
- ord-98e8709b364e40e493e8b841820de500
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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