Ethanol → [3-Amino-6-(3-pyridinyl)-1-benzofuran-2-yl](2,4-dichloro-phenyl)methanone

HRID 1121781Notes

Reaction equation

HRID 1121781 reaction equation
[C:34](=[O:35])([O-:36])[O-:37].[CH3:40][c:41]1[cH:42][cH:43][cH:44][cH:45][cH:46]1.[CH3:47][CH2:48][OH:49].[Cl:31][CH2:32][Cl:33].[NH2:1][c:2]1[c:3]([C:12](=[O:13])[c:14]2[c:15]([Cl:21])[cH:16][c:17]([Cl:20])[cH:18][cH:19]2)[o:4][c:5]2[c:6]1[cH:7][cH:8][c:9]([I:11])[cH:10]2.[Na+:38].[Na+:39].[n:22]1[cH:23][c:24]([B:28]([OH:29])[OH:30])[cH:25][cH:26][cH:27]1>>[NH2:1][c:2]1[c:3]([C:12](=[O:13])[c:14]2[c:15]([Cl:21])[cH:16][c:17]([Cl:20])[cH:18][cH:19]2)[o:4][c:5]2[c:6]1[cH:7][cH:8][c:9](-[c:24]1[cH:23][n:22][cH:27][cH:26][cH:25]1)[cH:10]2

Participants

8

Reactant 7

HCID 702EthanolHCID 923Sodium ion2×HCID 1140TolueneHCID 6344DichloromethaneHCID 19660Carbonate IonHCID 27343783-Pyridinylboronic acidHCID 21864959(3-Amino-6-iodo-1-benzofuran-2-yl)(2,4-dichlorophenyl)methanone

Product 1

HCID 10309423[3-Amino-6-(3-pyridinyl)-1-benzofuran-2-yl](2,4-dichloro-phenyl)methanone

Sources & evidence

ORD record
ord-b480f7185303445c9a82b8cf9bc90321
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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