HRID213033

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11

1,2-Dichloroethane

C2H4Cl2

HCID6344

Dichloromethane

CH2Cl2

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

HCID76447

2-(Trifluoromethyl)benzylamine

C8H8F3N

HCID81531

Diisopropylethylamine

C8H19N

HCID2755996

4-{[tert-Butoxy(hydroxy)methylidene]amino}cyclohexane-1-carboxylic acid

C12H21NO4

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)NC1CCC(C(=O)NCc2ccccc2C(F)(F)F)CC1

HCID59448226

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7cabc593296b4df084034b33a2b20562
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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