Sodium ion → 6-(4-Chlorophenyl)-8-methoxy-1-methyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine-4-acetic acid

HRID 154510Notes

Reaction equation

HRID 154510 reaction equation
[CH2:32]1[O:33][CH2:34][CH2:35][CH2:36]1.[Cl:1][c:2]1[cH:3][cH:4][c:5]([C:8]2=[N:9][CH:10]([CH2:25][C:26](=[O:27])[O:28][CH3:29])[c:11]3[n:12]([c:21]([CH3:24])[n:22][n:23]3)-[c:13]3[c:14]2[cH:15][c:16]([O:19][CH3:20])[cH:17][cH:18]3)[cH:6][cH:7]1.[Na+:31].[OH-:30]>>[Cl:1][c:2]1[cH:3][cH:4][c:5]([C:8]2=[N:9][CH:10]([CH2:25][C:26](=[O:27])[OH:28])[c:11]3[n:12]([c:21]([CH3:24])[n:22][n:23]3)-[c:13]3[c:14]2[cH:15][c:16]([O:19][CH3:20])[cH:17][cH:18]3)[cH:6][cH:7]1

Participants

5

Reactant 4

HCID 923Sodium ionHCID 961HydroxideHCID 8028TetrahydrofuranHCID 52934361HCID 52934361, compound

Product 1

HCID 532613636-(4-Chlorophenyl)-8-methoxy-1-methyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine-4-acetic acid

Sources & evidence

ORD record
ord-8a8ae61eb6e44216b6d5e66890159abd
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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