Hydrochloric Acid → HCID 22466711, compound
Reaction equation
[CH2:34]([O:35][CH:36]([OH:37])[CH3:38])[CH3:39].[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:27].[NH2:18][c:19]1[cH:20][cH:21][c:22]([CH3:26])[c:23]([OH:25])[cH:24]1.[Na+:40].[Na+:41].[O-:42][C:43](=[O:44])[O-:45].[OH2:46].[n:28]1[cH:29][cH:30][cH:31][cH:32][cH:33]1>>[c:2]1([NH:18][c:19]2[cH:20][cH:21][c:22]([CH3:26])[c:23]([OH:25])[cH:24]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
9
Sources & evidence
- ORD record
- ord-030f78deeca3403d9fce841a2bf772bd
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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