1,2-Dichloroethane → N-[3-benzylsulfonyl-1-oxo-1-[1-[4-(trifluoromethoxy)anilino]propan-2-ylamino]propan-2-yl]morpholine-4-carboxamide

HRID 2147994Notes

Reaction equation

HRID 2147994 reaction equation
[CH2:41]([Cl:42])[CH2:43][Cl:44].[CH3:55][N:56]1[CH2:57][CH2:58][O:59][CH2:60][CH2:61]1.[Cl:62][CH2:63][Cl:64].[F:25][C:26]([O:27][c:28]1[cH:29][cH:30][c:31]([NH:34][CH2:35][CH:36]([CH3:37])[NH2:38])[cH:32][cH:33]1)([F:39])[F:40].[O:1]1[CH2:2][CH2:3][N:4]([C:7](=[O:8])[NH:9][CH:10]([C:11](=[O:12])[OH:13])[CH2:14][S:15](=[O:16])(=[O:17])[CH2:18][c:19]2[cH:20][cH:21][cH:22][cH:23][cH:24]2)[CH2:5][CH2:6]1.[OH:45][n:46]1[c:47]2[c:48]([cH:49][cH:50][cH:51][cH:52]2)[n:53][n:54]1>>[O:1]1[CH2:2][CH2:3][N:4]([C:7](=[O:8])[NH:9][CH:10]([C:11](=[O:13])[NH:38][CH:36]([CH2:35][NH:34][c:31]2[cH:30][cH:29][c:28]([O:27][C:26]([F:25])([F:39])[F:40])[cH:33][cH:32]2)[CH3:37])[CH2:14][S:15](=[O:16])(=[O:17])[CH2:18][c:19]2[cH:20][cH:21][cH:22][cH:23][cH:24]2)[CH2:5][CH2:6]1

Participants

7

Reactant 6

HCID 111,2-DichloroethaneHCID 6344DichloromethaneHCID 79724-MethylmorpholineHCID 757711-HydroxybenzotriazoleHCID 112797342-[(Morpholine-4-carbonyl)-amino]-3-phenylmethanesulfonyl-propionic acidHCID 21082274N1-[4-(trifluoromethoxy)phenyl]propane-1,2-diamine

Product 1

HCID 178456781N-[3-benzylsulfonyl-1-oxo-1-[1-[4-(trifluoromethoxy)anilino]propan-2-ylamino]propan-2-yl]morpholine-4-carboxamide

Sources & evidence

ORD record
ord-834d66bdbf24419e9a799e4e323683cc
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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