Hydrochloric Acid → HCID 44159769, compound

HRID 2150152Notes

Reaction equation

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

Participants

Reactant 6

HCID 313Hydrochloric Acid

HCID 887Methanol

HCID 923Sodium ion

HCID 961Hydroxide

HCID 8028Tetrahydrofuran

HCID 66603906(2'-{[(2-Chloro-benzyloxycarbonyl)-ethyl-amino]-methyl}-6-methoxy-4'-trifluoromethyl-biphenyl-3-yl)-acetic acid methyl ester

Product 1

HCID 44159769HCID 44159769, compound

Sources & evidence

ORD record: ord-caa79fc9c6264d40a0feb089d809dcb7
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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