Sodium ion → 2-(3-Benzoylthio-2-methylpropanoyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid

HRID 205031

Reaction equation

HRID 205031 reaction equation
[C:16]([c:17]1[cH:18][cH:19][cH:20][cH:21][cH:22]1)(=[O:23])[S:24][CH2:25][CH:26]([C:27](=[O:28])[Cl:29])[CH3:30].[CH2:1]1[NH:2][CH:3]([C:11](=[O:12])[OH:13])[CH2:4][c:5]2[cH:6][cH:7][cH:8][cH:9][c:10]21.[CH2:31]1[NH:32][CH2:33][CH2:34][NH:35][CH2:36]1.[CH2:38]([Cl:39])[Cl:40].[Na+:15].[OH-:14].[OH2:37]>>[CH2:1]1[N:2]([C:27]([CH:26]([CH2:25][S:24][C:16]([c:17]2[cH:18][cH:19][cH:20][cH:21][cH:22]2)=[O:23])[CH3:30])=[O:28])[CH:3]([C:11](=[O:12])[OH:13])[CH2:4][c:5]2[cH:6][cH:7][cH:8][cH:9][c:10]21

Participants

8

Reactant 7

HCID 923Sodium ionHCID 961HydroxideHCID 962WaterHCID 4837PiperazineHCID 6344DichloromethaneHCID 954891,2,3,4-Tetrahydroisoquinoline-3-carboxylic acidHCID 12878433(1)-S-(3-Chloro-2-methyl-3-oxopropyl) benzenecarbothioate

Product 1

HCID 130920842-(3-Benzoylthio-2-methylpropanoyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid

Sources & evidence

ORD record
ord-db9277e6414240949096c97da41fabcc
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Linked notes

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