Water → N,2,2-trimethyl-6-nitro-2H-1-benzopyran-4-carbothioamide

HRID 1124803Notes

Reaction equation

HRID 1124803 reaction equation
[CH3:1][NH:2][C:3](=[S:4])[CH:5]1[CH:6]([OH:20])[C:7]([CH3:18])([CH3:19])[O:8][c:9]2[c:10]1[cH:11][c:12]([N+:15](=[O:16])[O-:17])[cH:13][cH:14]2.[CH3:33][c:34]1[cH:35][cH:36][cH:37][cH:38][cH:39]1.[OH2:21].[c:22]1([CH3:23])[cH:24][cH:25][c:26]([S:27]([OH:28])(=[O:29])=[O:30])[cH:31][cH:32]1>>[CH3:1][NH:2][C:3](=[S:4])[C:5]1=[CH:6][C:7]([CH3:18])([CH3:19])[O:8][c:9]2[c:10]1[cH:11][c:12]([N+:15](=[O:16])[O-:17])[cH:13][cH:14]2

Participants

5

Reactant 4

HCID 962WaterHCID 1140TolueneHCID 6101p-Toluenesulfonic acidHCID 15234732N,2,2-trimethyl-3,4-dihydro-3-hydroxy-6-nitro-2H-1-benzopyran-4-carbothioamide

Product 1

HCID 10423672N,2,2-trimethyl-6-nitro-2H-1-benzopyran-4-carbothioamide

Sources & evidence

ORD record
ord-5a9a763774f94aa1bb94999a68429183
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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