HRID144611

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6344

Dichloromethane

CH2Cl2

HCID8058

n-Hexane

C6H14

HCID8857

Ethyl acetate

C4H8O2

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

HCID17020

Propanenitrile, 3-bromo-

C3H4BrN

结构：O=C(Nc1ccc2c(c1)CCNC2)c1ccccc1-c1ccc(C(F)(F)F)cc1

HCID11014758

未命名化合物

PRODUCTS

生成物

结构：N#CCCN1CCc2cc(NC(=O)c3ccccc3-c3ccc(C(F)(F)F)cc3)ccc2C1

HCID23296216

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a8546a288c3249c0951f6a840a6c62b1
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

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