Methanol → 2-[[2-Chloro-4-[1-hydroxy-3-(3-hydroxyphenyl)propyl]benzoyl]amino]-3-quinolin-3-ylprop-2-enoic acid

HRID 302274

Reaction equation

HRID 302274 reaction equation
[CH3:3][O:4][C:5]([C:6](=[CH:7][c:8]1[cH:9][n:10][c:11]2[cH:12][cH:13][cH:14][cH:15][c:16]2[cH:17]1)[NH:18][C:19]([c:20]1[c:21]([Cl:37])[cH:22][c:23]([CH:26]([CH2:27][CH2:28][c:29]2[cH:30][c:31]([OH:35])[cH:32][cH:33][cH:34]2)[OH:36])[cH:24][cH:25]1)=[O:38])=[O:39].[CH3:41][OH:42].[CH3:53][OH:54].[Na+:2].[O:43]1[CH2:44][CH2:45][CH2:46][CH2:47]1.[O:48]1[CH2:49][CH2:50][CH2:51][CH2:52]1.[OH-:1].[OH2:40]>>[O:4]=[C:5]([C:6](=[CH:7][c:8]1[cH:9][n:10][c:11]2[cH:12][cH:13][cH:14][cH:15][c:16]2[cH:17]1)[NH:18][C:19]([c:20]1[c:21]([Cl:37])[cH:22][c:23]([CH:26]([CH2:27][CH2:28][c:29]2[cH:30][c:31]([OH:35])[cH:32][cH:33][cH:34]2)[OH:36])[cH:24][cH:25]1)=[O:38])[OH:39]

Participants

7

Reactant 6

HCID 887Methanol2×HCID 923Sodium ionHCID 961HydroxideHCID 962WaterHCID 8028Tetrahydrofuran2×HCID 70152309Methyl 2-[[2-chloro-4-[1-hydroxy-3-(3-hydroxyphenyl)propyl]benzoyl]amino]-3-quinolin-3-ylprop-2-enoate

Product 1

HCID 701520122-[[2-Chloro-4-[1-hydroxy-3-(3-hydroxyphenyl)propyl]benzoyl]amino]-3-quinolin-3-ylprop-2-enoic acid

Sources & evidence

ORD record
ord-c6ab6f2803204d13a3629260d6f44949
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Linked notes

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