Hydrochloric Acid → Hydrochloric Acid

HRID 2154895Notes

Reaction equation

HRID 2154895 reaction equation
[ClH:1].[O:39]1[CH2:40][CH2:41][O:42][CH2:43][CH2:44]1.[c:2]1([C:8]2([c:33]3[cH:34][cH:35][cH:36][cH:37][cH:38]3)[CH2:9][CH2:10][C:11]([OH:24])([c:25]3[c:26]([O:31][CH3:32])[cH:27][cH:28][cH:29][cH:30]3)[CH:12]3[CH2:13][N:14]([C:17]([O:18][C:19]([CH3:20])([CH3:21])[CH3:22])=[O:23])[CH2:15][CH:16]23)[cH:3][cH:4][cH:5][cH:6][cH:7]1>>[ClH:1].[c:2]1([C:8]2([c:33]3[cH:34][cH:35][cH:36][cH:37][cH:38]3)[CH2:9][CH2:10][C:11]([OH:24])([c:25]3[c:26]([O:31][CH3:32])[cH:27][cH:28][cH:29][cH:30]3)[CH:12]3[CH2:13][NH:14][CH2:15][CH:16]23)[cH:3][cH:4][cH:5][cH:6][cH:7]1

Participants

5

Reactant 3

HCID 313Hydrochloric AcidHCID 312751,4-DioxaneHCID 21264545Tert-butyl 4-hydroxy-4-(2-methoxyphenyl)-7,7-diphenyl-1,3,3a,5,6,7a-hexahydroisoindole-2-carboxylate

Product 2

HCID 313Hydrochloric AcidHCID 193768274-(2-methoxyphenyl)-7,7-diphenyl-2,3,3a,5,6,7a-hexahydro-1H-isoindol-4-ol

Sources & evidence

ORD record
ord-50c1644c0312463a9aea3f92c6cfff61
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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