Dimethyl Sulfoxide → 2-cyano-7-(3-(quinolin-2-ylmethoxy)benzyloxy)-4-oxo-4H-1-benzopyran

HRID 187590Notes

Reaction equation

HRID 187590 reaction equation
[C:1](#[N:2])[c:3]1[o:4][c:5]2[c:6]([c:7](=[O:9])[cH:8]1)[cH:10][cH:11][c:12]([OH:14])[cH:13]2.[CH3:38][S:39]([CH3:40])=[O:41].[Cl:15][CH2:16][c:17]1[cH:18][c:19]([O:20][CH2:21][c:22]2[n:23][c:24]3[cH:25][cH:26][cH:27][cH:28][c:29]3[cH:30][cH:31]2)[cH:32][cH:33][cH:34]1.[Na+:36].[OH-:35].[OH2:37]>>[C:1](#[N:2])[c:3]1[o:4][c:5]2[c:6]([c:7](=[O:9])[cH:8]1)[cH:10][cH:11][c:12]([O:14][CH2:16][c:17]1[cH:18][c:19]([O:20][CH2:21][c:22]3[n:23][c:24]4[cH:25][cH:26][cH:27][cH:28][c:29]4[cH:30][cH:31]3)[cH:32][cH:33][cH:34]1)[cH:13]2

Participants

7

Reactant 6

HCID 679Dimethyl SulfoxideHCID 923Sodium ionHCID 961HydroxideHCID 962WaterHCID 99899952-cyano-7-hydroxy-4-oxo-4H-1-benzopyranHCID 145017062-(3-Chloromethylphenoxy)methylquinoline

Product 1

HCID 148423662-cyano-7-(3-(quinolin-2-ylmethoxy)benzyloxy)-4-oxo-4H-1-benzopyran

Sources & evidence

ORD record
ord-5adcf5b4e85c47e4aa6dd02e7744a61d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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