Hydrochloric Acid → HCID 44250959, compound
Reaction equation
[CH3:53][S:54]([CH3:55])=[O:56].[CH3:57][OH:58].[CH:39]([N:40]([CH2:41][CH3:42])[CH:43]([CH3:44])[CH3:45])([CH3:46])[CH3:47].[Cl:1][c:2]1[cH:3][c:4]([NH:12][C:13]([c:14]2[cH:15][cH:16][c:17]([C:20]([CH3:21])([CH3:22])[OH:23])[cH:18][cH:19]2)=[O:24])[n:5][c:6]2[n:7]1[n:8][c:9]([CH3:11])[cH:10]2.[ClH:25].[O:48]=[CH:49][N:50]([CH3:51])[CH3:52].[c:26]1([S:32][CH:33]2[CH2:34][CH2:35][NH:36][CH2:37][CH2:38]2)[cH:27][cH:28][cH:29][cH:30][cH:31]1>>[c:2]1([N:36]2[CH2:35][CH2:34][CH:33]([S:32][c:26]3[cH:27][cH:28][cH:29][cH:30][cH:31]3)[CH2:38][CH2:37]2)[cH:3][c:4]([NH:12][C:13]([c:14]2[cH:15][cH:16][c:17]([C:20]([CH3:21])([CH3:22])[OH:23])[cH:18][cH:19]2)=[O:24])[n:5][c:6]2[n:7]1[n:8][c:9]([CH3:11])[cH:10]2Participants
8
Reactant 7
Product 1
Sources & evidence
- ORD record
- ord-415d8df161c04343a6dbdaa1c90f4be7
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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