HRID171020

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1049

Pyridine

C5H5N

HCID6212

Chloroform

CHCl3

HCID70955

4-Fluorophenyl isocyanate

C7H4FNO

结构：NCCCCn1c(-c2ccccc2)nc2c(N)nc3ccccc3c21

HCID12148992

未命名化合物

PRODUCTS

生成物

结构：Nc1nc2ccccc2c2c1nc(-c1ccccc1)n2CCCCNC(=O)Nc1ccc(F)cc1

HCID9956281

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-fbbc7674a9b5416b8e92c87300bf5ab0
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

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