Dimethyl Sulfoxide → 4-(2-(2-Bromophenylamino)-3,4-dioxocyclobut-1-enylamino)-3-hydroxybenzonitrile

HRID 699109Notes

Reaction equation

[Br:20][c:21]1[c:22]([NH2:23])[cH:24][cH:25][cH:26][cH:27]1.[CH2:1]([O:2][c:4]1[c:5](=[O:19])[c:6](=[O:18])[c:7]1[NH:8][c:9]1[c:10]([OH:17])[cH:11][c:12]([C:15]#[N:16])[cH:13][cH:14]1)[CH3:3].[CH2:28]([O:29][C:30](=[O:31])[CH3:32])[CH3:33].[CH3:34][S:35]([CH3:36])=[O:37]>>[c:4]1([NH:23][c:22]2[c:21]([Br:20])[cH:27][cH:26][cH:25][cH:24]2)[c:5](=[O:19])[c:6](=[O:18])[c:7]1[NH:8][c:9]1[c:10]([OH:17])[cH:11][c:12]([C:15]#[N:16])[cH:13][cH:14]1

Participants

Reactant 4

HCID 679Dimethyl Sulfoxide

HCID 8857Ethyl Acetate

HCID 119922-Bromoaniline

HCID 105153373-Ethoxy-4-(2-hydroxy-4-cyanoanilino)-3-cyclobutene-1,2-dione

Product 1

HCID 98214174-(2-(2-Bromophenylamino)-3,4-dioxocyclobut-1-enylamino)-3-hydroxybenzonitrile

Sources & evidence

ORD record: ord-4b0cb28e24014601abf0f34a87fe9844
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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