HRID158597

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：COc1cc(N)c(Cl)cc1C(=O)NC1CCN(CCCOc2ccc(F)cc2)CC1OC

HCID2769

未命名化合物

HCID6212

Chloroform

CHCl3

HCID6367

Acetyl chloride

C2H3ClO

HCID8471

Triethylamine

C6H15N

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

PRODUCTS

生成物

结构：COc1cc(NC(C)=O)c(Cl)cc1C(=O)NC1CCN(CCCOc2ccc(F)cc2)CC1OC

HCID19883523

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ea0314c6b3034bdea91787cc9484c444
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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