Acetic Acid → HCID 53688804, compound

HRID 2142800Notes

Reaction equation

HRID 2142800 reaction equation
[Br-:14].[CH3:15][O:16][C:17](=[O:18])[c:19]1[cH:20][c:21]([P+:25]([c:26]2[cH:27][cH:28][cH:29][cH:30][cH:31]2)([c:32]2[cH:33][cH:34][cH:35][cH:36][cH:37]2)[c:38]2[cH:39][cH:40][cH:41][cH:42][cH:43]2)[cH:22][cH:23][cH:24]1.[CH3:51][C:52](=[O:53])[OH:54].[CH3:55][N:56]([CH3:57])[CH:58]=[O:59].[H-:49].[Na+:50].[O:44]1[CH2:45][CH2:48][CH2:47][CH2:46]1.[s:1]1[cH:2][c:3](-[c:6]2[cH:7][c:8]([CH:9]=[O:10])[cH:11][cH:12][cH:13]2)[cH:4][cH:5]1>>[s:1]1[cH:2][c:3](-[c:6]2[cH:7][c:8]([CH:9]=[CH:45][c:21]3[cH:20][c:19]([C:17]([O:16][CH3:15])=[O:18])[cH:24][cH:23][cH:22]3)[cH:11][cH:12][cH:13]2)[cH:4][cH:5]1

Participants

9

Reactant 8

HCID 176Acetic AcidHCID 259Bromide ionHCID 923Sodium ionHCID 6228DimethylformamideHCID 8028TetrahydrofuranHCID 166653HydrideHCID 45475263-(Thiophen-3-yl)benzaldehydeHCID 86748939HCID 86748939, compound

Product 1

HCID 53688804HCID 53688804, compound

Sources & evidence

ORD record
ord-caf49230a52640b1bf4013b597d28c80
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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