Hydrochloric Acid → HCID 22311050, compound
Reaction equation
[CH2:1]([CH3:2])[O:3][C:4]([CH:5]([CH2:6][NH:7][C:8]([c:9]1[cH:10][cH:11][c:12]([CH:15]([c:16]2[cH:17][cH:18][c:19]([C:22]3=[CH:23][CH2:24][CH2:25][CH2:26][CH2:27]3)[cH:20][cH:21]2)[NH:28][C:29](=[O:30])[NH:31][c:32]2[cH:33][c:34]([Cl:39])[cH:35][c:36]([Cl:38])[cH:37]2)[cH:13][cH:14]1)=[O:40])[OH:41])=[O:42].[CH2:49]1[O:50][CH2:51][CH2:52][CH2:53]1.[CH3:46][CH2:47][OH:48].[ClH:45].[Na+:44].[OH-:43]>>[O:3]=[C:4]([CH:5]([CH2:6][NH:7][C:8]([c:9]1[cH:10][cH:11][c:12]([CH:15]([c:16]2[cH:17][cH:18][c:19]([C:22]3=[CH:23][CH2:24][CH2:25][CH2:26][CH2:27]3)[cH:20][cH:21]2)[NH:28][C:29](=[O:30])[NH:31][c:32]2[cH:33][c:34]([Cl:39])[cH:35][c:36]([Cl:38])[cH:37]2)[cH:13][cH:14]1)=[O:40])[OH:41])[OH:42]Participants
7
Sources & evidence
- ORD record
- ord-ce2bf8a42368447b8f3f62365e3c0833
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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