Ethanol → 4-(6-Chloro-benzo[b]thiophene-2-sulfonyl)-1-(4-hydroxy-4,5,6,7-tetrahydro-benzothiazol-2-ylmethyl)-piperazin-2-one

HRID 139157Notes

Reaction equation

HRID 139157 reaction equation
[BH4-:32].[CH3:34][CH2:35][OH:36].[CH3:37][CH2:38][O:39][C:40]([CH3:41])=[O:42].[Cl:1][c:2]1[cH:3][cH:4][c:5]2[c:6]([s:7][c:8]([S:10](=[O:11])(=[O:12])[N:13]3[CH2:14][C:15](=[O:30])[N:16]([CH2:19][c:20]4[s:21][c:22]5[c:23]([n:24]4)[C:25](=[O:29])[CH2:26][CH2:27][CH2:28]5)[CH2:17][CH2:18]3)[cH:9]2)[cH:31]1.[Na+:33]>>[Cl:1][c:2]1[cH:3][cH:4][c:5]2[c:6]([s:7][c:8]([S:10](=[O:11])(=[O:12])[N:13]3[CH2:14][C:15](=[O:30])[N:16]([CH2:19][c:20]4[s:21][c:22]5[c:23]([n:24]4)[CH:25]([OH:29])[CH2:26][CH2:27][CH2:28]5)[CH2:17][CH2:18]3)[cH:9]2)[cH:31]1

Participants

6

Reactant 5

HCID 702EthanolHCID 923Sodium ionHCID 8857Ethyl AcetateHCID 28123BorohydrideHCID 670150242-[4-(6-chloro-benzo[b]thiophene-2-sulfonyl)-2-oxo-piperazin-1-ylmethyl]-6,7-dihydro-5H-benzothiazol-4-one

Product 1

HCID 670141644-(6-Chloro-benzo[b]thiophene-2-sulfonyl)-1-(4-hydroxy-4,5,6,7-tetrahydro-benzothiazol-2-ylmethyl)-piperazin-2-one

Sources & evidence

ORD record
ord-6dbc7559334b4e75be955083c494500d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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