4-Methylbenzenethiol → [(4-Hydroxy-1-p-tolylsulfanyl-isoquinoline-3-carbonyl)-amino]-acetic acid

HRID 102097

Reaction equation

HRID 102097 reaction equation
[CH3:20][c:21]1[cH:22][cH:23][c:24]([SH:27])[cH:25][cH:26]1.[Cl:1][c:2]1[n:3][c:4]([C:13](=[O:14])[NH:15][CH2:16][C:17](=[O:18])[OH:19])[c:5]([OH:12])[c:6]2[cH:7][cH:8][cH:9][cH:10][c:11]12>>[c:2]1([S:27][c:24]2[cH:23][cH:22][c:21]([CH3:20])[cH:26][cH:25]2)[n:3][c:4]([C:13](=[O:14])[NH:15][CH2:16][C:17](=[O:18])[OH:19])[c:5]([OH:12])[c:6]2[cH:7][cH:8][cH:9][cH:10][c:11]12

Participants

3

Reactant 2

HCID 78114-MethylbenzenethiolHCID 6914666FG-2216

Product 1

HCID 11360648[(4-Hydroxy-1-p-tolylsulfanyl-isoquinoline-3-carbonyl)-amino]-acetic acid

Sources & evidence

ORD record
ord-980f8206b92d42c083ba7fc0f5b1f02a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Linked notes

Loading…