HRID955445

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

HCID76447

2-(Trifluoromethyl)benzylamine

C8H8F3N

结构：CNc1nc(NC2CCC(C(=O)O)CC2)nc(N2CCCCC2)n1

HCID67330340

未命名化合物

PRODUCTS

生成物

结构：CNc1nc(NC2CCC(C(=O)NCc3ccccc3C(F)(F)F)CC2)nc(N2CCCCC2)n1

HCID59242527

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c7c63390993a4a378b914c81cc567133
来源数据集: Validation data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Validation data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

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