Hydrochloric Acid → HCID 22711199, compound
Reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][c:10]2[c:11]([s:14][c:15]([CH2:17][CH2:18][C:19](=[O:20])[OH:21])[cH:16]2)[CH2:12][CH2:13]1.[CH3:22][N:23]1[CH2:24][CH2:25][O:26][CH2:27][CH2:28]1.[Cl:29][C:30]([O:31][CH2:32][CH:33]([CH3:34])[CH3:35])=[O:36].[Cl:38][c:39]1[cH:40][c:41]2[cH:42][cH:43][c:44]([S:49](=[O:50])(=[O:51])[N:52]3[CH2:53][CH2:54][NH:55][CH2:56][CH2:57]3)[cH:45][c:46]2[cH:47][cH:48]1.[Cl:63][CH2:64][Cl:65].[ClH:37].[O:58]1[CH2:59][CH2:60][CH2:61][CH2:62]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][c:10]2[c:11]([s:14][c:15]([CH2:17][CH2:18][C:19](=[O:21])[N:55]3[CH2:54][CH2:53][N:52]([S:49]([c:44]4[cH:43][cH:42][c:41]5[cH:40][c:39]([Cl:38])[cH:48][cH:47][c:46]5[cH:45]4)(=[O:50])=[O:51])[CH2:57][CH2:56]3)[cH:16]2)[CH2:12][CH2:13]1Participants
8
Sources & evidence
- ORD record
- ord-21d138501221462586671fe4429fc0d7
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
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