Hydrochloric Acid → HCID 22466740, compound
Reaction equation
[CH3:39][CH2:40][O:41][CH2:42][CH2:43][OH:44].[Cl:1][c:2]1[c:3]([C:16]#[N:17])[cH:4][n:5][c:6]2[cH:7][c:8]([O:14][CH3:15])[c:9]([O:12][CH3:13])[cH:10][c:11]12.[ClH:32].[O:18]([c:19]1[cH:20][cH:21][cH:22][cH:23][cH:24]1)[c:25]1[cH:26][c:27]([NH2:28])[cH:29][cH:30][cH:31]1.[n:33]1[cH:34][cH:35][cH:36][cH:37][cH:38]1>>[c:2]1([NH:28][c:27]2[cH:26][c:25]([O:18][c:19]3[cH:20][cH:21][cH:22][cH:23][cH:24]3)[cH:31][cH:30][cH:29]2)[c:3]([C:16]#[N:17])[cH:4][n:5][c:6]2[cH:7][c:8]([O:14][CH3:15])[c:9]([O:12][CH3:13])[cH:10][c:11]12Participants
6
Sources & evidence
- ORD record
- ord-657cf23d1d374a658fa9eba385119bf8
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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