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

HRID 92696
Notes
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Reaction equation

HRID 92696 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.[Na+:15].[OH-:14].[OH2:31]>>[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
ParticipantsSources & evidenceReaction notes

Participants

6

Reactant 5

HCID 923Sodium IonHCID 961HydroxideHCID 962WaterHCID 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-1b80f57396aa47eda459f2af42487e6e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI
10.1039/C8SC04228D

Reaction notes

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On this pageParticipantsSources & evidenceReaction notes