1,2-Dichloroethane → tert-butyl N-[1-[[4-[5-[[(2-methoxybenzoyl)amino]carbamoyl]-3-(trifluoromethyl)pyrazol-1-yl]thiophen-2-yl]methylamino]-1-oxopropan-2-yl]carbamate

HRID 2158303

반응식

HRID 2158303 반응식
[C:13]([CH3:14])([CH3:15])([CH3:16])[O:17][C:18](=[O:19])[NH:20][CH:21]([C:22](=[O:23])[NH:24][CH2:25][c:26]1[cH:27][c:28](-[n:31]2[n:32][c:33]([C:39]([F:40])([F:41])[F:42])[cH:34][c:35]2[C:36](=[O:37])[OH:38])[cH:29][s:30]1)[CH3:43].[CH2:44]([Cl:45])[CH2:46][Cl:47].[CH3:1][O:2][c:3]1[c:4]([C:5](=[O:6])[NH:7][NH2:8])[cH:9][cH:10][cH:11][cH:12]1.[CH3:51][N:52]([c:53]1[cH:54][cH:55][n:56][cH:57][cH:58]1)[CH3:59].[Cl:48][CH2:49][Cl:50]>>[CH3:1][O:2][c:3]1[c:4]([C:5](=[O:6])[NH:7][NH:8][C:36]([c:35]2[n:31](-[c:28]3[cH:27][c:26]([CH2:25][NH:24][C:22]([CH:21]([NH:20][C:18]([O:17][C:13]([CH3:14])([CH3:15])[CH3:16])=[O:19])[CH3:43])=[O:23])[s:30][cH:29]3)[n:32][c:33]([C:39]([F:40])([F:41])[F:42])[cH:34]2)=[O:37])[cH:9][cH:10][cH:11][cH:12]1

참가 물질

6

반응물 5

HCID 111,2-DichloroethaneHCID 6344DichloromethaneHCID 142844-(Dimethylamino)pyridineHCID 24051o-AnisohydrazideHCID 692985561-[5-[[2-[(2-Methylpropan-2-yl)oxycarbonylamino]propanoylamino]methyl]thiophen-3-yl]-3-(trifluoromethyl)pyrazole-5-carboxylic acid

생성물 1

HCID 69299463tert-butyl N-[1-[[4-[5-[[(2-methoxybenzoyl)amino]carbamoyl]-3-(trifluoromethyl)pyrazol-1-yl]thiophen-2-yl]methylamino]-1-oxopropan-2-yl]carbamate

출처 및 근거

ORD 기록
ord-645d46b75735406eabe04fe17735726e
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

연결된 노트

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