Acetate → HCID 67313727, compound

HRID 200004Notes

Reaction equation

HRID 200004 reaction equation
[Br:1][c:2]1[cH:3][cH:4][c:5](-[c:7]2[n:8][c:9]([NH:13][c:14]3[cH:15][c:16]([CH:20]([CH3:21])[OH:22])[cH:17][cH:18][cH:19]3)[n:10][cH:11][cH:12]2)[s:6]1.[C:32]([O-:33])(=[O:34])[CH3:35].[CH3:23][c:24]1[cH:25][c:26]([CH:27]=[CH2:28])[cH:29][cH:30][cH:31]1.[CH3:42][S:43]([CH3:44])=[O:45].[Na+:36].[O:37]=[CH:38][N:39]([CH3:40])[CH3:41]>>[c:2]1([CH:28]=[CH:27][c:26]2[cH:25][c:24]([CH3:23])[cH:31][cH:30][cH:29]2)[cH:3][cH:4][c:5](-[c:7]2[n:8][c:9]([NH:13][c:14]3[cH:15][c:16]([CH:20]([CH3:21])[OH:22])[cH:17][cH:18][cH:19]3)[n:10][cH:11][cH:12]2)[s:6]1

Participants

7

Reactant 6

HCID 175AcetateHCID 679Dimethyl SulfoxideHCID 923Sodium ionHCID 6228DimethylformamideHCID 75291-Ethenyl-3-methylbenzeneHCID 16666603HCID 16666603, compound

Product 1

HCID 67313727HCID 67313727, compound

Sources & evidence

ORD record
ord-1b1f3eb3a0fa4051af8194feff974a1a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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