HRID833544

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID6422

未命名化合物

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

HCID76447

2-(Trifluoromethyl)benzylamine

C8H8F3N

结构：CNc1nc(NC2CCC(C(=O)O)CC2)nc(N2CCN(C)CC2)n1

HCID67330775

未命名化合物

PRODUCTS

生成物

结构：CNc1nc(NC2CCC(C(=O)NCc3ccccc3C(F)(F)F)CC2)nc(N2CCN(C)CC2)n1

HCID25117871

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-82eba2d2dbf54e8a91d8c910bb3921b6
来源数据集: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Test data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

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