Hydrochloric Acid → HCID 19738052, compound
Reaction equation
[CH3:33][CH2:34][CH2:35][CH2:36][CH2:37][CH3:38].[Cl:26][CH2:27][n:28]1[n:29][cH:30][n:31][cH:32]1.[Cl:3][c:4]1[cH:5][cH:6][c:7]([CH:10]([C:11]#[N:12])[CH2:13][CH2:14][c:15]2[s:16][cH:17][cH:18][cH:19]2)[cH:8][cH:9]1.[ClH:25].[H-:1].[Na+:2].[O:20]=[CH:21][N:22]([CH3:23])[CH3:24].[OH2:39]>>[Cl:3][c:4]1[cH:5][cH:6][c:7]([C:10]([C:11]#[N:12])([CH2:13][CH2:14][c:15]2[s:16][cH:17][cH:18][cH:19]2)[CH2:27][n:28]2[n:29][cH:30][n:31][cH:32]2)[cH:8][cH:9]1Participants
9
Sources & evidence
- ORD record
- ord-ba37497752fb41f29f1041ec57a31ab8
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
Reaction notes
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