Hydrochloric Acid → HCID 22054167, compound
Reaction equation
[CH2:19]([Cl:20])[Cl:21].[CH2:1]1[CH2:2][CH2:3][NH:4][CH2:5][CH2:6]1.[CH2:8]([N:9]=[C:10]=[N:11][CH2:12][CH2:13][CH2:14][N:15]([CH3:16])[CH3:17])[CH3:18].[CH3:22][O:23][c:24]1[c:25]([CH3:54])[c:26]([CH2:27][c:28]2[cH:29][c:30]([O:37][CH2:38][c:39]3[cH:40][cH:41][cH:42][cH:43][cH:44]3)[c:31]([C:32](=[O:33])[OH:34])[cH:35][cH:36]2)[c:45]([O:52][CH3:53])[c:46]([O:50][CH3:51])[c:47]1[O:48][CH3:49].[ClH:7].[OH2:55]>>[CH2:1]1[CH2:2][CH2:3][N:4]([C:32]([c:31]2[c:30]([O:37][CH2:38][c:39]3[cH:40][cH:41][cH:42][cH:43][cH:44]3)[cH:29][c:28]([CH2:27][c:26]3[c:25]([CH3:54])[c:24]([O:23][CH3:22])[c:47]([O:48][CH3:49])[c:46]([O:50][CH3:51])[c:45]3[O:52][CH3:53])[cH:36][cH:35]2)=[O:33])[CH2:5][CH2:6]1Participants
7
Sources & evidence
- ORD record
- ord-f231ebbac5584970bda26ead22edb057
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
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