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

HRID 1113385Notes

Reaction equation

HRID 1113385 reaction equation
[CH3:45][CH2:46][N:47]([CH2:48][CH3:49])[CH2:50][CH3:51].[Cl:52][CH2:53][Cl:54].[ClH:14].[c:15]1([C:21]2([c:39]3[cH:40][cH:41][cH:42][cH:43][cH:44]3)[CH2:22][CH2:23][C:24]([OH:30])([c:31]3[c:32]([O:37][CH3:38])[cH:33][cH:34][cH:35][cH:36]3)[CH:25]3[CH2:26][NH:27][CH2:28][CH:29]23)[cH:16][cH:17][cH:18][cH:19][cH:20]1.[nH:1]1[cH:2][c:3]([CH2:10][C:11](=[O:12])[OH:13])[c:4]2[cH:5][cH:6][cH:7][cH:8][c:9]12>>[nH:1]1[cH:2][c:3]([CH2:10][C:11](=[O:13])[N:27]2[CH2:26][CH:25]3[C:24]([OH:30])([c:31]4[c:32]([O:37][CH3:38])[cH:33][cH:34][cH:35][cH:36]4)[CH2:23][CH2:22][C:21]([c:15]4[cH:16][cH:17][cH:18][cH:19][cH:20]4)([c:39]4[cH:40][cH:41][cH:42][cH:43][cH:44]4)[CH:29]3[CH2:28]2)[c:4]2[cH:5][cH:6][cH:7][cH:8][c:9]12

Participants

6

Reactant 5

HCID 313Hydrochloric AcidHCID 802Indole-3-Acetic AcidHCID 6344DichloromethaneHCID 8471TriethylamineHCID 193768274-(2-methoxyphenyl)-7,7-diphenyl-2,3,3a,5,6,7a-hexahydro-1H-isoindol-4-ol

Product 1

HCID 18994349(3aRS,4RS,7aRS)-7,7-diphenyl-2-(3-indolylacetyl)-4-(2-methoxyphenyl)-perhydroisoindol-4-ol

Sources & evidence

ORD record
ord-1f9a9bd8065f4759937d70c76d132463
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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