Ethanol → 2-carboxy-8-(4-(quinolin-2-ylmethoxy)phenoxymethyl)-4-oxo-4H-1-benzopyran

HRID 1232758Notes

Reaction equation

HRID 1232758 reaction equation
[C:1](=[O:2])([O:3][CH2:4][CH3:5])[c:6]1[o:7][c:8]2[c:9]([c:10](=[O:12])[cH:11]1)[cH:13][cH:14][cH:15][c:16]2[CH2:17][O:18][c:19]1[cH:20][cH:21][c:22]([O:25][CH2:26][c:27]2[n:28][c:29]3[cH:30][cH:31][cH:32][cH:33][c:34]3[cH:35][cH:36]2)[cH:23][cH:24]1.[C:37](=[O:38])([OH:39])[O-:40].[CH3:42][CH2:43][OH:44].[Na+:41].[OH2:45]>>[C:1](=[O:2])([OH:3])[c:6]1[o:7][c:8]2[c:9]([c:10](=[O:12])[cH:11]1)[cH:13][cH:14][cH:15][c:16]2[CH2:17][O:18][c:19]1[cH:20][cH:21][c:22]([O:25][CH2:26][c:27]2[n:28][c:29]3[cH:30][cH:31][cH:32][cH:33][c:34]3[cH:35][cH:36]2)[cH:23][cH:24]1

Participants

6

Reactant 5

HCID 702EthanolHCID 769Bicarbonate IonHCID 923Sodium ionHCID 962WaterHCID 19913843HCID 19913843, compound

Product 1

HCID 148423732-carboxy-8-(4-(quinolin-2-ylmethoxy)phenoxymethyl)-4-oxo-4H-1-benzopyran

Sources & evidence

ORD record
ord-757379e050154217a0122508f81eb172
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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