Hydrochloric Acid → HCID 74820290, compound
Reaction equation
[CH3:42][CH2:43][N:44]([CH2:45][CH3:46])[CH2:47][CH3:48].[CH3:49][C:50]([Cl:51])=[O:52].[CH3:55][C:56]#[N:57].[Cl:2][c:3]1[cH:4][c:5]([CH:10]2[CH2:11][N:12]([C:34](=[O:35])[CH:36]3[CH2:37][CH2:38][NH:39][CH2:40][CH2:41]3)[CH2:13][CH2:14][CH:15]2[N:16]([C:17]([c:18]2[cH:19][c:20]([C:28]([F:29])([F:30])[F:31])[cH:21][c:22]([C:24]([F:25])([F:26])[F:27])[cH:23]2)=[O:32])[CH3:33])[cH:6][cH:7][c:8]1[Cl:9].[ClH:1].[Na+:54].[OH-:53].[OH2:58]>>[Cl:2][c:3]1[cH:4][c:5]([CH:10]2[CH2:11][N:12]([C:34](=[O:35])[CH:36]3[CH2:37][CH2:38][N:39]([C:50]([CH3:49])=[O:52])[CH2:40][CH2:41]3)[CH2:13][CH2:14][CH:15]2[N:16]([C:17]([c:18]2[cH:19][c:20]([C:28]([F:29])([F:30])[F:31])[cH:21][c:22]([C:24]([F:25])([F:26])[F:27])[cH:23]2)=[O:32])[CH3:33])[cH:6][cH:7][c:8]1[Cl:9]Participants
9
Sources & evidence
- ORD record
- ord-b2bbb87ee63d4e10922896f4bb2e421e
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
Reaction notes
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