HRID297640

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID1049

Pyridine

C5H5N

HCID13405

p-Toluoyl chloride

C8H7ClO

结构：Cc1ccc(N)cc1Nc1cc(C(F)(F)F)nc(-c2ccncc2)n1

HCID22732458

未命名化合物

PRODUCTS

生成物

结构：Cc1ccc(C(=O)Nc2ccc(C)c(Nc3cc(C(F)(F)F)nc(-c4ccncc4)n3)c2)cc1

HCID22732414

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3a199f57c7e843d396b34e18a160e410
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[NH2:1][c:2]1[cH:3][cH:4][c:5]([CH3:25])[c:6]([NH:7][c:8]2[n:9][c:10](-[c:18]3[cH:19][cH:20][n:21][cH:22][cH:23]3)[n:11][c:12]([C:14]([F:15])([F:16])[F:17])[cH:13]2)[cH:24]1.[OH2:36].[c:26]1([CH3:35])[cH:27][cH:28][c:29]([C:32](=[O:33])[Cl:34])[cH:30][cH:31]1.[cH:37]1[cH:38][cH:39][n:40][cH:41][cH:42]1>>[NH:1]([c:2]1[cH:3][cH:4][c:5]([CH3:25])[c:6]([NH:7][c:8]2[n:9][c:10](-[c:18]3[cH:19][cH:20][n:21][cH:22][cH:23]3)[n:11][c:12]([C:14]([F:15])([F:16])[F:17])[cH:13]2)[cH:24]1)[C:32]([c:29]1[cH:28][cH:27][c:26]([CH3:35])[cH:31][cH:30]1)=[O:33]