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Methanol → (+/-)-1-(3-Amino-4-cyano-benzyl)-4-(6-chloro-benzo[b]thiophene-2-sulfonyl)-6-oxo-piperazine-2-carboxylic acid

HRID 936289
Notes
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Reaction equation

HRID 936289 reaction equation
[CH2:35]1[O:36][CH2:37][CH2:38][CH2:39]1.[CH3:1][O:2][C:3](=[O:4])[CH:5]1[N:6]([CH2:25][c:26]2[cH:27][c:28]([NH2:34])[c:29]([C:32]#[N:33])[cH:30][cH:31]2)[C:7](=[O:24])[CH2:8][N:9]([S:11](=[O:12])(=[O:13])[c:14]2[cH:15][c:16]3[c:17]([s:18]2)[cH:19][c:20]([Cl:23])[cH:21][cH:22]3)[CH2:10]1.[CH3:40][OH:41].[OH2:42]>>[O:2]=[C:3]([OH:4])[CH:5]1[N:6]([CH2:25][c:26]2[cH:27][c:28]([NH2:34])[c:29]([C:32]#[N:33])[cH:30][cH:31]2)[C:7](=[O:24])[CH2:8][N:9]([S:11](=[O:12])(=[O:13])[c:14]2[cH:15][c:16]3[c:17]([s:18]2)[cH:19][c:20]([Cl:23])[cH:21][cH:22]3)[CH2:10]1
ParticipantsSources & evidenceReaction notes

Participants

5

Reactant 4

HCID 887MethanolHCID 962WaterHCID 8028TetrahydrofuranHCID 54383939(+/-)-1-(3-Amino-4-cyano-benzyl)-4-(6-chloro-benzo[b]thiophene-2-sulfonyl)-6-oxo-piperazine-2-carboxylic acid methyl ester

Product 1

HCID 17985171(+/-)-1-(3-Amino-4-cyano-benzyl)-4-(6-chloro-benzo[b]thiophene-2-sulfonyl)-6-oxo-piperazine-2-carboxylic acid

Sources & evidence

ORD record
ord-d65126d98e3a4e1abfbfc06e0e900776
Source dataset
Validation data from https://doi.org/10.1039/C8SC04228D
DOI
10.1039/C8SC04228D

Reaction notes

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On this pageParticipantsSources & evidenceReaction notes