Water → 5-Chloro-4-nitro-thiophene-2-sulfonic acid bis-(2-hydroxy-ethyl)-amide

Reaction equation

[CH2:22]1[O:23][CH2:24][CH2:25][CH2:26]1.[Cl:8][c:9]1[c:10]([N+:18](=[O:19])[O-:20])[cH:11][c:12]([S:14](=[O:15])(=[O:16])[Cl:17])[s:13]1.[OH2:21].[OH:1][CH2:2][CH2:3][NH:4][CH2:5][CH2:6][OH:7]>>[OH:1][CH2:2][CH2:3][N:4]([CH2:5][CH2:6][OH:7])[S:14]([c:12]1[cH:11][c:10]([N+:18](=[O:19])[O-:20])[c:9]([Cl:8])[s:13]1)(=[O:15])=[O:16]

Participants

Reactant 4

HCID 962Water

HCID 8028Tetrahydrofuran

HCID 8113Diethanolamine

HCID 27357835-Chloro-4-nitrothiophene-2-sulfonyl chloride

Product 1

HCID 672187875-Chloro-4-nitro-thiophene-2-sulfonic acid bis-(2-hydroxy-ethyl)-amide

Sources & evidence

ORD record: ord-d15118455be440d994f935911bb5ab72
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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