Hydrochloric Acid → HCID 178490324, compound

HRID 2147865Notes

Reaction equation

[C:1]([O:2][C:3](=[O:4])[N:7]([CH2:8][c:9]1[cH:10][c:11]([O:15][CH3:16])[cH:12][cH:13][cH:14]1)[CH2:17][CH:18]([CH:19]([CH2:20][c:21]1[cH:22][c:23]([F:28])[cH:24][c:25]([F:27])[cH:26]1)[NH:29][C:30]([c:31]1[cH:32][c:33]([N:40]2[S:41](=[O:46])(=[O:47])[CH2:42][CH2:43][CH2:44][CH2:45]2)[cH:34][c:35]([CH:37]([CH3:38])[OH:39])[cH:36]1)=[O:48])[OH:49])([CH3:5])([CH3:6])[CH3:50].[CH3:52][OH:53].[ClH:51]>>[NH:7]([CH2:8][c:9]1[cH:10][c:11]([O:15][CH3:16])[cH:12][cH:13][cH:14]1)[CH2:17][CH:18]([CH:19]([CH2:20][c:21]1[cH:22][c:23]([F:28])[cH:24][c:25]([F:27])[cH:26]1)[NH:29][C:30]([c:31]1[cH:32][c:33]([N:40]2[S:41](=[O:46])(=[O:47])[CH2:42][CH2:43][CH2:44][CH2:45]2)[cH:34][c:35]([CH:37]([CH3:38])[OH:39])[cH:36]1)=[O:48])[OH:49]

Participants

Reactant 3

HCID 313Hydrochloric Acid

HCID 887Methanol

HCID 178490326tert-butyl N-[4-(3,5-difluorophenyl)-3-[[3-(1,1-dioxothiazinan-2-yl)-5-(1-hydroxyethyl)benzoyl]amino]-2-hydroxybutyl]-N-[(3-methoxyphenyl)methyl]carbamate

Product 1

HCID 178490324HCID 178490324, compound

Sources & evidence

ORD record: ord-9fd96d66a7d04528b983b955a90e3112
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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