Water → 5-Chloro-4-nitro-thiophene-2-sulfonic acid (2-hydroxy-1-hydroxymethyl-1-methyl-ethyl)-amide

HRID 113946

Reaction equation

HRID 113946 reaction equation
[CH2:29]1[O:30][CH2:31][CH2:32][CH2:33]1.[CH3:21][CH2:22][N:23]([CH2:24][CH3:25])[CH2:26][CH3:27].[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.[NH2:1][C:2]([CH2:3][OH:4])([CH2:5][OH:6])[CH3:7].[OH2:28]>>[NH:1]([C:2]([CH2:3][OH:4])([CH2:5][OH:6])[CH3:7])[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

6

Reactant 5

HCID 962WaterHCID 15312-Amino-2-methyl-1,3-propanediolHCID 8028TetrahydrofuranHCID 8471TriethylamineHCID 27357835-Chloro-4-nitrothiophene-2-sulfonyl chloride

Product 1

HCID 672187305-Chloro-4-nitro-thiophene-2-sulfonic acid (2-hydroxy-1-hydroxymethyl-1-methyl-ethyl)-amide

Sources & evidence

ORD record
ord-27865e4b35174322ad5ce41ff347c0b5
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Linked notes

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