Acetate → 3-[5-Hydroxy-2-(4-hydroxyphenyl)-benzofuran-7-yl]-acrylamide

HRID 2148591Notes

Reaction equation

HRID 2148591 reaction equation
[Br:1][c:2]1[cH:3][c:4]([OH:18])[cH:5][c:6]2[cH:7][c:8](-[c:11]3[cH:12][cH:13][c:14]([OH:17])[cH:15][cH:16]3)[o:9][c:10]12.[CH3:47][CH2:48][N:49]([CH2:50][CH3:51])[CH2:52][CH3:53].[CH3:54][C:55]#[N:56].[ClH:46].[NH2:19][C:20](=[O:21])[CH:22]=[CH2:23].[O-:58][C:59]([CH3:60])=[O:61].[O-:62][C:63]([CH3:64])=[O:65].[Pd+2:57].[c:24]1([CH3:25])[cH:26][cH:27][cH:28][cH:29][c:30]1[P:31]([c:32]1[cH:33][cH:34][cH:35][cH:36][c:37]1[CH3:38])[c:39]1[cH:40][cH:41][cH:42][cH:43][c:44]1[CH3:45]>>[c:2]1([CH:23]=[CH:22][C:20]([NH2:19])=[O:21])[cH:3][c:4]([OH:18])[cH:5][c:6]2[cH:7][c:8](-[c:11]3[cH:12][cH:13][c:14]([OH:17])[cH:15][cH:16]3)[o:9][c:10]12

Participants

9

Reactant 8

HCID 175Acetate2×HCID 313Hydrochloric AcidHCID 6342AcetonitrileHCID 6579AcrylamideHCID 8471TriethylamineHCID 80271Tri-o-tolylphosphineHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 102863527-Bromo-2-(4-hydroxy-phenyl)-benzofuran-5-ol

Product 1

HCID 688451963-[5-Hydroxy-2-(4-hydroxyphenyl)-benzofuran-7-yl]-acrylamide

Sources & evidence

ORD record
ord-9ee1c1cb5e0947c2b3c3fd4c98daf90f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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