Hydrochloric Acid → 2-[7-hydroxy-7-(2-methoxyphenyl)-2-[2-(3-methoxyphenyl)acetyl]-3,3a,4,5,6,7a-hexahydro-1H-isoindol-5-yl]acetonitrile

HRID 311607Notes

Reaction equation

HRID 311607 reaction equation
[C:2](#[N:3])[CH2:4][CH:5]1[CH2:6][C:7]([OH:14])([c:15]2[c:16]([O:21][CH3:22])[cH:17][cH:18][cH:19][cH:20]2)[CH:8]2[CH2:9][NH:10][CH2:11][CH:12]2[CH2:13]1.[CH3:23][O:24][c:25]1[cH:26][c:27]([CH2:31][C:32](=[O:33])[OH:34])[cH:28][cH:29][cH:30]1.[CH3:56][N:57]([CH3:58])[CH2:59][CH2:60][CH2:61][N:62]=[C:63]=[N:64][CH2:65][CH3:66].[CH:35]([N:36]([CH:37]([CH3:38])[CH3:39])[CH2:40][CH3:41])([CH3:42])[CH3:43].[Cl:67][CH2:68][Cl:69].[ClH:1].[ClH:55].[OH2:44].[OH:45][c:46]1[c:47]2[n:48][n:49][nH:50][c:51]2[cH:52][cH:53][cH:54]1>>[C:2](#[N:3])[CH2:4][CH:5]1[CH2:6][C:7]([OH:14])([c:15]2[c:16]([O:21][CH3:22])[cH:17][cH:18][cH:19][cH:20]2)[CH:8]2[CH2:9][N:10]([C:32]([CH2:31][c:27]3[cH:26][c:25]([O:24][CH3:23])[cH:30][cH:29][cH:28]3)=[O:33])[CH2:11][CH:12]2[CH2:13]1

Participants

9

Reactant 8

HCID 313Hydrochloric Acid2×HCID 962WaterHCID 6344DichloromethaneHCID 15719(3-Methoxyphenyl)acetic acidHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 81531DiisopropylethylamineHCID 189315462-[7-Hydroxy-7-(2-methoxyphenyl)-1,2,3,3a,4,5,6,7a-octahydroisoindol-5-yl]acetonitrileHCID 178418300HCID 178418300, compound

Product 1

HCID 1784901802-[7-hydroxy-7-(2-methoxyphenyl)-2-[2-(3-methoxyphenyl)acetyl]-3,3a,4,5,6,7a-hexahydro-1H-isoindol-5-yl]acetonitrile

Sources & evidence

ORD record
ord-183afca52a9f4ca48858269a1eefb0da
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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