Dichloromethane → 4-(6-Cyano-4-(methoxycarbonyl)-chroman-7-yloxy)benzoic acid

HRID 125235

Reaction equation

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

Participants

Reactant 4

HCID 6344Dichloromethane

HCID 6422Trifluoroacetic acid

HCID 8857Ethyl Acetate

HCID 67080240Methyl 7-(4-(tert-butoxycarbonyl)phenoxy)-6-cyanochroman-4-carboxylate

Product 1

HCID 462211084-(6-Cyano-4-(methoxycarbonyl)-chroman-7-yloxy)benzoic acid

Sources & evidence

ORD record: ord-53a4ac8bda8d4bb0a44eca4d4e1d7dd1
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D

Linked notes

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