HRID120461

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6344

Dichloromethane

CH2Cl2

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

HCID81531

Diisopropylethylamine

C8H19N

HCID2724519

3,4-Difluorobenzoyl chloride

C7H3ClF2O

结构：CCCc1nc2cc(NCc3ccccc3)ccc2n1CC(=O)OC(C)(C)C

HCID67200053

未命名化合物

PRODUCTS

生成物

结构：CCCc1nc2cc(N(Cc3ccccc3)C(=O)c3ccc(F)c(F)c3)ccc2n1CC(=O)OC(C)(C)C

HCID67201384

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f4acdffc0f794d4f872224375de6011f
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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