HRID699566

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1049

Pyridine

C5H5N

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

HCID75257

Benzoyl chloride, 3-(trifluoromethyl)-

C8H4ClF3O

结构：Nc1cccc(Oc2ccc3nc(NC(=O)C4CC4)oc3c2)c1

HCID67312021

未命名化合物

PRODUCTS

生成物

结构：O=C(Nc1cccc(Oc2ccc3nc(NC(=O)C4CC4)oc3c2)c1)c1cccc(C(F)(F)F)c1

HCID58349060

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e697ecfc7f144d3689b71e694161bb95
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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