Hydrochloric Acid → HCID 67368278, compound
Reaction equation
[CH3:28][N:29]([CH3:30])[CH2:31][CH2:32][CH2:33][N:34]=[C:35]=[N:36][CH2:37][CH3:38].[Cl:58][CH2:59][Cl:60].[ClH:27].[F:39][c:40]1[cH:41][cH:42][c:43](-[c:46]2[c:47]([N:52]3[CH2:53][CH2:54][NH:55][CH2:56][CH2:57]3)[n:48][cH:49][cH:50][n:51]2)[cH:44][cH:45]1.[OH2:16].[OH:17][n:18]1[c:19]2[cH:20][cH:21][cH:22][cH:23][c:24]2[n:25][n:26]1.[c:1]1([S:7](=[O:8])(=[O:9])[N:10]([CH3:11])[CH2:12][C:13](=[O:14])[OH:15])[cH:2][cH:3][cH:4][cH:5][cH:6]1>>[c:1]1([S:7](=[O:8])(=[O:9])[N:10]([CH3:11])[CH2:12][C:13](=[O:15])[N:55]2[CH2:54][CH2:53][N:52]([c:47]3[c:46](-[c:43]4[cH:42][cH:41][c:40]([F:39])[cH:45][cH:44]4)[n:51][cH:50][cH:49][n:48]3)[CH2:57][CH2:56]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1Participants
8
Sources & evidence
- ORD record
- ord-aeefcfb5fa8a466fb013e74c0d1f4dd0
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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