Ethanol → 2-[7-(4-Chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetraazatricyclo[8.3.0.0,2,6]trideca-2(6),4,7,10,12-pentaen-9-yl]acetic acid

HRID 962187Notes

Reaction equation

HRID 962187 reaction equation
[CH3:35][CH2:36][OH:37].[Cl:1][c:2]1[cH:3][cH:4][c:5]([C:8]2=[N:9][C:10]([CH2:24][C:25](=[O:26])[OH:27])([C:28]([O:29][CH2:30][CH3:31])=[O:32])[c:11]3[n:12]([c:20]([CH3:23])[n:21][n:22]3)-[c:13]3[c:14]2[c:15]([CH3:19])[c:16]([CH3:18])[s:17]3)[cH:6][cH:7]1.[Na+:34].[OH-:33]>>[Cl:1][c:2]1[cH:3][cH:4][c:5]([C:8]2=[N:9][CH:10]([CH2:24][C:25](=[O:26])[OH:27])[c:11]3[n:12]([c:20]([CH3:23])[n:21][n:22]3)-[c:13]3[c:14]2[c:15]([CH3:19])[c:16]([CH3:18])[s:17]3)[cH:6][cH:7]1

Participants

5

Reactant 4

HCID 702EthanolHCID 923Sodium ionHCID 961HydroxideHCID 197049582-(4-(4-Chlorophenyl)-6-(ethoxycarbonyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl)acetic acid

Product 1

HCID 197049212-[7-(4-Chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetraazatricyclo[8.3.0.0,2,6]trideca-2(6),4,7,10,12-pentaen-9-yl]acetic acid

Sources & evidence

ORD record
ord-631bd7965d4c488481d7b63ad80fec98
Source dataset
Validation data from https://doi.org/10.1039/C8SC04228D

Reaction notes

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