HRID2319222

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6115

Aniline

C6H7N

HCID6344

Dichloromethane

CH2Cl2

HCID7972

4-Methylmorpholine

C5H11NO

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

HCID65578

Ethanedioyl dichloride

C2Cl2O2

HCID44222637

未命名化合物

HCID66736078

未命名化合物

PRODUCTS

生成物

结构：Cc1ccc(C(=O)Nc2cc(-n3ccnc3)cc(C(F)(F)F)c2)cc1C#Cc1cnc2cnccn12

HCID16214860

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-bbc41b0cf8444b1980b4ee0fd54f15ab
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[CH2:58]([Cl:59])[Cl:60].[CH3:22][N:23]1[CH2:24][CH2:25][O:26][CH2:27][CH2:28]1.[CH3:61][N:62]([c:63]1[cH:64][cH:65][n:66][cH:67][cH:68]1)[CH3:69].[Cl:29][C:30]([C:31]([Cl:32])=[O:33])=[O:34].[NH2:51][c:52]1[cH:53][cH:54][cH:55][cH:56][cH:57]1.[n:1]1[cH:2][c:3]([C:10]#[C:11][c:12]2[cH:13][c:14]([C:15](=[O:16])[OH:17])[cH:18][cH:19][c:20]2[CH3:21])[n:4]2[c:5]1[cH:6][n:7][cH:8][cH:9]2.[n:35]1(-[c:40]2[cH:41][c:42]([NH2:43])[cH:44][c:45]([C:47]([F:48])([F:49])[F:50])[cH:46]2)[cH:36][n:37][cH:38][cH:39]1>>[n:1]1[cH:2][c:3]([C:10]#[C:11][c:12]2[cH:13][c:14]([C:15](=[O:17])[NH:43][c:42]3[cH:41][c:40](-[n:35]4[cH:36][n:37][cH:38][cH:39]4)[cH:46][c:45]([C:47]([F:48])([F:49])[F:50])[cH:44]3)[cH:18][cH:19][c:20]2[CH3:21])[n:4]2[c:5]1[cH:6][n:7][cH:8][cH:9]2