Hydrochloric Acid → HCID 45139060, compound

HRID 1566321Notes

Reaction equation

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

Participants

Reactant 5

HCID 313Hydrochloric Acid

HCID 961Hydroxide

HCID 8028Tetrahydrofuran

HCID 28486Lithium ion

HCID 86640543{5-[2-({N-[2-(6-chloro-pyridin-3-yl)-acetyl]-N-ethyl-amino}-methyl)-4-trifluoromethyl-phenyl]-pyridin-3-yl}-acetic acid ethyl ester

Product 1

HCID 45139060HCID 45139060, compound

Sources & evidence

ORD record: ord-8da4bf579d0543f6b0bc7747cf5f9adc
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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