1,2-Dichloroethane → HCID 68481868, compound

HRID 2348528Notes

Reaction equation

HRID 2348528 reaction equation
[CH2:53]([Cl:54])[CH2:55][Cl:56].[CH2:57]([Cl:58])[Cl:59].[CH3:46][CH2:47][N:48]([CH2:49][CH3:50])[CH2:51][CH3:52].[CH3:60][OH:61].[ClH:25].[NH2:1][CH:2]([CH2:3][C:4](=[O:5])[N:6]1[CH2:7][C:8]([CH3:20])([CH3:21])[C:9]([OH:12])([c:13]2[cH:14][cH:15][c:16]([Cl:19])[cH:17][cH:18]2)[CH2:10][CH2:11]1)[CH:22]([CH3:23])[CH3:24].[OH:26][C:27](=[O:28])[c:29]1[cH:30][cH:31][c:32]([Cl:33])[cH:34][cH:35]1.[OH:36][n:37]1[c:38]2[c:39]([cH:40][cH:41][cH:42][cH:43]2)[n:44][n:45]1>>[NH:1]([CH:2]([CH2:3][C:4](=[O:5])[N:6]1[CH2:7][C:8]([CH3:20])([CH3:21])[C:9]([OH:12])([c:13]2[cH:14][cH:15][c:16]([Cl:19])[cH:17][cH:18]2)[CH2:10][CH2:11]1)[CH:22]([CH3:23])[CH3:24])[C:27](=[O:26])[c:29]1[cH:30][cH:31][c:32]([Cl:33])[cH:34][cH:35]1

Participants

9

Reactant 8

HCID 111,2-DichloroethaneHCID 313Hydrochloric AcidHCID 887MethanolHCID 63184-Chlorobenzoic AcidHCID 6344DichloromethaneHCID 8471TriethylamineHCID 757711-HydroxybenzotriazoleHCID 684823303-Amino-1-[4-(4-chlorophenyl)-4-hydroxy-3,3-dimethylpiperidin-1-yl]-4-methylpentan-1-one

Product 1

HCID 68481868HCID 68481868, compound

Sources & evidence

ORD record
ord-f72d4292f69447548f9dc3fd30fce09d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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