Hydrochloric Acid → 3-Benzyl-3-methyl-2,3-dihydro-benzofuran-6-carboxylic acid (2-iodo-phenyl)-amide

HRID 1216809Notes

Reaction equation

HRID 1216809 reaction equation
[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[C:8]1([CH3:20])[CH2:9][O:10][c:11]2[c:12]1[cH:13][cH:14][c:15]([C:17](=[O:18])[OH:19])[cH:16]2.[CH:53]([N:54]([CH2:55][CH3:56])[CH:57]([CH3:58])[CH3:59])([CH3:60])[CH3:61].[Cl:63][CH2:64][Cl:65].[ClH:62].[I:21][c:22]1[c:23]([NH2:24])[cH:25][cH:26][cH:27][cH:28]1.[O:66]=[CH:67][N:68]([CH3:69])[CH3:70].[P-:29]([F:30])([F:31])([F:32])([F:33])([F:34])[F:35].[n:36]1([O:37][C:38]([N:39]([CH3:40])[CH3:41])=[N+:42]([CH3:43])[CH3:44])[c:45]2[n:46][cH:47][cH:48][cH:49][c:50]2[n:51][n:52]1>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[C:8]1([CH3:20])[CH2:9][O:10][c:11]2[c:12]1[cH:13][cH:14][c:15]([C:17](=[O:19])[NH:24][c:23]1[c:22]([I:21])[cH:28][cH:27][cH:26][cH:25]1)[cH:16]2

Participants

9

Reactant 8

HCID 313Hydrochloric AcidHCID 6228DimethylformamideHCID 6344DichloromethaneHCID 9886HexafluorophosphateHCID 119952-IodoanilineHCID 81531DiisopropylethylamineHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 251290473-Benzyl-3-methyl-2,3-dihydro-benzofuran-6-carboxylic acid

Product 1

HCID 594431273-Benzyl-3-methyl-2,3-dihydro-benzofuran-6-carboxylic acid (2-iodo-phenyl)-amide

Sources & evidence

ORD record
ord-d62a6315e5e84e6db81de8ea5f46ea05
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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