Hydrochloric Acid → HCID 178432749, compound
Reaction equation
[CH3:49][C:50]#[N:51].[Cl:2][CH2:3][c:4]1[n:5][cH:6][cH:7][c:8]([S:11][CH2:12][CH2:13][CH2:14][SH:15]([CH3:16])[CH2:17][CH:18]2[CH2:19][NH:20][CH2:21][CH2:22][CH2:23]2)[c:9]1[CH3:10].[Cl:45][CH2:46][Cl:47].[ClH:1].[NH2:29][c:30]1[n:31][c:32]([CH3:38])[n:33][c:34]([CH3:37])[c:35]1[Cl:36].[Na+:24].[Na+:39].[Na+:40].[O-:41][C:42](=[O:43])[O-:44].[OH2:48].[OH:25][C:26](=[O:27])[O-:28]>>[CH2:3]([c:4]1[n:5][cH:6][cH:7][c:8]([S:11][CH2:12][CH2:13][CH2:14][SH:15]([CH3:16])[CH2:17][CH:18]2[CH2:19][NH:20][CH2:21][CH2:22][CH2:23]2)[c:9]1[CH3:10])[NH:29][c:30]1[n:31][c:32]([CH3:38])[n:33][c:34]([CH3:37])[c:35]1[Cl:36]Participants
10
Sources & evidence
- ORD record
- ord-18a62cf5495044d992cb36f073d4764a
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
Reaction notes
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