Hydroxide → 2-(4-(2-chlorophenyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)-4,5-dihydrobenzo[b]thieno[2,3-d]oxepine-8-carboxylic acid

HRID 1540620Notes

Reaction equation

HRID 1540620 reaction equation
[CH2:35]1[O:36][CH2:37][CH2:38][CH2:39]1.[Cl:1][c:2]1[c:3](-[n:8]2[c:9](-[c:14]3[cH:15][c:16]4[c:17]([s:31]3)-[c:18]3[c:19]([cH:23][c:24]([C:27](=[O:28])[O:29][CH3:30])[cH:25][cH:26]3)[O:20][CH2:21][CH2:22]4)[n:10][nH:11][c:12]2=[O:13])[cH:4][cH:5][cH:6][cH:7]1.[Li+:34].[OH-:33].[OH2:32]>>[Cl:1][c:2]1[c:3](-[n:8]2[c:9](-[c:14]3[cH:15][c:16]4[c:17]([s:31]3)-[c:18]3[c:19]([cH:23][c:24]([C:27](=[O:28])[OH:29])[cH:25][cH:26]3)[O:20][CH2:21][CH2:22]4)[n:10][nH:11][c:12]2=[O:13])[cH:4][cH:5][cH:6][cH:7]1

Participants

6

Reactant 5

HCID 961HydroxideHCID 962WaterHCID 8028TetrahydrofuranHCID 28486Lithium ionHCID 57900408Methyl 2-(4-(2-chlorophenyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)-4,5-dihydrobenzo[b]thieno[2,3-d]oxepine-8-carboxylate

Product 1

HCID 579004302-(4-(2-chlorophenyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)-4,5-dihydrobenzo[b]thieno[2,3-d]oxepine-8-carboxylic acid

Sources & evidence

ORD record
ord-d04ad857967540b0ba34c1bd524552ad
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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