1,2-Dichloroethane → 2-trimethylsilylethyl N-[3-cyclohexyl-2-[[3-[methoxy(methyl)carbamoyl]benzoyl]amino]propyl]-N-methylcarbamate

HRID 2345939Notes

Reaction equation

HRID 2345939 reaction equation
[CH2:38]([Cl:39])[CH2:40][Cl:41].[CH3:34][NH:35][O:36][CH3:37].[CH:1]1([CH2:7][CH:8]([CH2:9][N:10]([C:11](=[O:12])[O:13][CH2:14][CH2:15][Si:16]([CH3:17])([CH3:18])[CH3:19])[CH3:20])[NH:21][C:22](=[O:23])[c:24]2[cH:25][c:26]([C:27](=[O:28])[OH:29])[cH:30][cH:31][cH:32]2)[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6]1.[CH:52]([N:53]([CH2:54][CH3:55])[CH:56]([CH3:57])[CH3:58])([CH3:59])[CH3:60].[Cl:61][CH2:62][Cl:63].[ClH:33].[OH:42][n:43]1[c:44]2[c:45]([cH:46][cH:47][cH:48][cH:49]2)[n:50][n:51]1>>[CH:1]1([CH2:7][CH:8]([CH2:9][N:10]([C:11](=[O:12])[O:13][CH2:14][CH2:15][Si:16]([CH3:17])([CH3:18])[CH3:19])[CH3:20])[NH:21][C:22](=[O:23])[c:24]2[cH:25][c:26]([C:27](=[O:28])[N:35]([CH3:34])[O:36][CH3:37])[cH:30][cH:31][cH:32]2)[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6]1

Participants

8

Reactant 7

HCID 111,2-DichloroethaneHCID 313Hydrochloric AcidHCID 6344DichloromethaneHCID 14232N,O-DimethylhydroxylamineHCID 757711-HydroxybenzotriazoleHCID 81531DiisopropylethylamineHCID 671900933-[[1-Cyclohexyl-3-[methyl(2-trimethylsilylethoxycarbonyl)amino]propan-2-yl]carbamoyl]benzoic acid

Product 1

HCID 873029422-trimethylsilylethyl N-[3-cyclohexyl-2-[[3-[methoxy(methyl)carbamoyl]benzoyl]amino]propyl]-N-methylcarbamate

Sources & evidence

ORD record
ord-22b77d5f5e014bf3b91c04ccbfbbf152
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

Loading…