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

HRID 1212684Notes

Reaction equation

HRID 1212684 reaction equation
[C:1]([c:2]1[nH:3][cH:4][cH:5][n:6]1)([c:7]1[nH:8][cH:9][cH:10][n:11]1)=[O:12].[CH2:64]([Cl:65])[Cl:66].[CH3:57][CH2:58][N:59]([CH2:60][CH3:61])[CH2:62][CH3:63].[ClH:26].[c:27]1([C:33]2([c:51]3[cH:52][cH:53][cH:54][cH:55][cH:56]3)[CH2:34][CH2:35][C:36]([OH:42])([c:43]3[c:44]([O:49][CH3:50])[cH:45][cH:46][cH:47][cH:48]3)[CH:37]3[CH2:38][NH:39][CH2:40][CH:41]23)[cH:28][cH:29][cH:30][cH:31][cH:32]1.[nH:13]1[cH:14][c:15]([CH2:22][C:23](=[O:24])[OH:25])[c:16]2[cH:17][cH:18][cH:19][cH:20][c:21]12>>[nH:13]1[cH:14][c:15]([CH2:22][C:23](=[O:25])[N:39]2[CH2:38][CH:37]3[C:36]([OH:42])([c:43]4[c:44]([O:49][CH3:50])[cH:45][cH:46][cH:47][cH:48]4)[CH2:35][CH2:34][C:33]([c:27]4[cH:28][cH:29][cH:30][cH:31][cH:32]4)([c:51]4[cH:52][cH:53][cH:54][cH:55][cH:56]4)[CH:41]3[CH2:40]2)[c:16]2[cH:17][cH:18][cH:19][cH:20][c:21]12

Participants

7

Reactant 6

HCID 313Hydrochloric AcidHCID 802Indole-3-Acetic AcidHCID 6344DichloromethaneHCID 8471TriethylamineHCID 5250894Bis-(1H-imidazol-2-YL)-methanoneHCID 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-01c5d84146bc4b68b379e0051e6e55b4
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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