HRID2339163

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1049

Pyridine

C5H5N

HCID8471

Triethylamine

C6H15N

HCID73768

1-Isocyanato-4-(trifluoromethyl)benzene

C8H4F3NO

HCID178507541

未命名化合物

PRODUCTS

生成物

结构：O=C(Nc1ccc(C(F)(F)F)cc1)Nc1cccc(-c2n[nH]cc2-c2ccncc2)c1

HCID178522056

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0837f6cc026b4c4d9fef018377b00812
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

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