Hydrochloric Acid → HCID 9815031, compound
Reaction equation
[CH2:29]1[CH2:30][CH2:31][C:32]2=[N:37][CH2:36][CH2:35][CH2:34][N:33]2[CH2:38][CH2:39]1.[CH3:20][c:21]1[cH:22][cH:23][c:24]([CH2:27][NH2:28])[n:25][cH:26]1.[CH3:40][O:41][CH2:42][CH2:43][O:44][CH3:45].[ClH:18].[ClH:19].[NH2:1][c:2]1[n:3][c:4]([S:15]([CH3:16])=[O:17])[c:5]([C:13]#[N:14])[c:6](-[c:8]2[o:9][cH:10][cH:11][cH:12]2)[n:7]1>>[NH2:1][c:2]1[n:3][c:4]([NH:28][CH2:27][c:24]2[cH:23][cH:22][c:21]([CH3:20])[cH:26][n:25]2)[c:5]([C:13]#[N:14])[c:6](-[c:8]2[o:9][cH:10][cH:11][cH:12]2)[n:7]1Participants
6
Sources & evidence
- ORD record
- ord-2d48c68aad694e6eb7215dc1c62954a5
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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