1,2-Dichloroethane → tert-butyl N-[1-[4-(4-chloro-3-methoxyphenyl)-4-hydroxy-3,3-dimethylpiperidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate

HRID 112876

Reaction equation

HRID 112876 reaction equation
[C:1](=[O:2])([O:3][C:4]([CH3:5])([CH3:6])[CH3:7])[NH:8][CH:9]([CH:10]([CH3:11])[CH3:12])[C:13](=[O:14])[OH:15].[CH2:16]([Cl:17])[CH2:18][Cl:19].[CH:49]([N:50]([CH2:51][CH3:52])[CH:53]([CH3:54])[CH3:55])([CH3:56])[CH3:57].[Cl:31][c:32]1[c:33]([O:47][CH3:48])[cH:34][c:35]([C:38]2([OH:46])[C:39]([CH3:44])([CH3:45])[CH2:40][NH:41][CH2:42][CH2:43]2)[cH:36][cH:37]1.[Cl:58][CH2:59][Cl:60].[ClH:30].[OH:20][n:21]1[c:22]2[c:23]([cH:24][cH:25][cH:26][cH:27]2)[n:28][n:29]1>>[C:1](=[O:2])([O:3][C:4]([CH3:5])([CH3:6])[CH3:7])[NH:8][CH:9]([CH:10]([CH3:11])[CH3:12])[C:13](=[O:15])[N:41]1[CH2:40][C:39]([CH3:44])([CH3:45])[C:38]([c:35]2[cH:34][c:33]([O:47][CH3:48])[c:32]([Cl:31])[cH:37][cH:36]2)([OH:46])[CH2:43][CH2:42]1

Participants

8

Reactant 7

HCID 111,2-DichloroethaneHCID 313Hydrochloric AcidHCID 6344DichloromethaneHCID 757711-HydroxybenzotriazoleHCID 81531DiisopropylethylamineHCID 270655Boc-DL-valineHCID 578896944-(4-Chloro-3-methoxyphenyl)-3,3-dimethylpiperidin-4-ol

Product 1

HCID 178488266tert-butyl N-[1-[4-(4-chloro-3-methoxyphenyl)-4-hydroxy-3,3-dimethylpiperidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate

Sources & evidence

ORD record
ord-19a331cc8789494b88561837e2302017
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Linked notes

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