1,2-Dichloroethane → 1-[3-[2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-2-oxoethyl]-5-methoxy-1-benzofuran-2-yl]-2,2-dimethylpropan-1-one

HRID 107882

Reaction equation

HRID 107882 reaction equation
[CH2:32]1[NH:33][CH2:34][CH2:35][CH:36]2[CH2:37][CH2:38][CH2:39][CH2:40][CH:41]12.[CH2:56]([Cl:57])[CH2:58][Cl:59].[CH3:1][C:2]([C:3](=[O:4])[c:5]1[o:6][c:7]2[c:8]([c:9]1[CH2:10][C:11](=[O:12])[OH:13])[cH:14][c:15]([O:18][CH3:19])[cH:16][cH:17]2)([CH3:20])[CH3:21].[CH:42]([N:43]([CH2:44][CH3:45])[CH:46]([CH3:47])[CH3:48])([CH3:49])[CH3:50].[O:51]=[CH:52][N:53]([CH3:54])[CH3:55].[OH:22][n:23]1[c:24]2[c:25]([cH:26][cH:27][cH:28][cH:29]2)[n:30][n:31]1>>[CH3:1][C:2]([C:3](=[O:4])[c:5]1[o:6][c:7]2[c:8]([c:9]1[CH2:10][C:11](=[O:12])[N:33]1[CH2:32][CH:41]3[CH:36]([CH2:35][CH2:34]1)[CH2:37][CH2:38][CH2:39][CH2:40]3)[cH:14][c:15]([O:18][CH3:19])[cH:16][cH:17]2)([CH3:20])[CH3:21]

Participants

7

Reactant 6

HCID 111,2-DichloroethaneHCID 6228DimethylformamideHCID 757711-HydroxybenzotriazoleHCID 81531DiisopropylethylamineHCID 97812DecahydroisoquinolineHCID 57804476[2-(2,2-Dimethylpropanoyl)-5-methoxy-1-benzofuran-3-yl]acetic acid

Product 1

HCID 690088971-[3-[2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-2-oxoethyl]-5-methoxy-1-benzofuran-2-yl]-2,2-dimethylpropan-1-one

Sources & evidence

ORD record
ord-4fe8da7cf274433a87270fdb543b7a70
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Linked notes

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