Hydrochloric Acid → (3aRS,4RS,7aRS)-7,7-diphenyl-4-(2-methoxyphenyl)-2-phenylacetyl-perhydroisoindol-4-ol

HRID 143190Notes

Reaction equation

HRID 143190 reaction equation
[CH2:49]([Cl:50])[Cl:51].[CH3:1][CH2:2][N:3]([CH2:4][CH3:5])[CH2:6][CH3:7].[CH3:52][C:53]#[N:54].[ClH:18].[c:19]1([C:25]2([c:43]3[cH:44][cH:45][cH:46][cH:47][cH:48]3)[CH2:26][CH2:27][C:28]([OH:34])([c:35]3[c:36]([O:41][CH3:42])[cH:37][cH:38][cH:39][cH:40]3)[CH:29]3[CH2:30][NH:31][CH2:32][CH:33]23)[cH:20][cH:21][cH:22][cH:23][cH:24]1.[c:8]1([CH2:14][C:15](=[O:16])[Cl:17])[cH:9][cH:10][cH:11][cH:12][cH:13]1>>[c:8]1([CH2:14][C:15](=[O:16])[CH:32]2[NH:31][CH2:30][CH:29]3[C:28]([OH:34])([c:35]4[c:36]([O:41][CH3:42])[cH:37][cH:38][cH:39][cH:40]4)[CH2:27][CH2:26][C:25]([c:19]4[cH:20][cH:21][cH:22][cH:23][cH:24]4)([c:43]4[cH:44][cH:45][cH:46][cH:47][cH:48]4)[CH:33]32)[cH:9][cH:10][cH:11][cH:12][cH:13]1

Participants

7

Reactant 6

HCID 313Hydrochloric AcidHCID 6342AcetonitrileHCID 6344DichloromethaneHCID 7679Phenylacetyl chlorideHCID 8471TriethylamineHCID 193768274-(2-methoxyphenyl)-7,7-diphenyl-2,3,3a,5,6,7a-hexahydro-1H-isoindol-4-ol

Product 1

HCID 67784184(3aRS,4RS,7aRS)-7,7-diphenyl-4-(2-methoxyphenyl)-2-phenylacetyl-perhydroisoindol-4-ol

Sources & evidence

ORD record
ord-ddf0cb272f7f4dcaa8cc5f3742df45df
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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