HRID95427

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID962

Water

H2O

HCID6342

Acetonitrile

C2H3N

HCID8471

Triethylamine

C6H15N

HCID73768

1-Isocyanato-4-(trifluoromethyl)benzene

C8H4F3NO

结构：NC(Cc1ccc(C(F)(F)F)cc1)C(O)c1ccc(F)cc1

HCID22261479

未命名化合物

PRODUCTS

生成物

结构：O=C(Nc1ccc(C(F)(F)F)cc1)NC(Cc1ccc(C(F)(F)F)cc1)C(O)c1ccc(F)cc1

HCID22261802

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0565fb4218944674859b19f84fdfd755
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[CH3:24][CH2:25][N:26]([CH2:27][CH3:28])[CH2:29][CH3:30].[CH3:44][C:45]#[N:46].[ClH:1].[F:2][c:3]1[cH:4][cH:5][c:6]([CH:9]([CH:10]([CH2:11][c:12]2[cH:13][cH:14][c:15]([C:18]([F:19])([F:20])[F:21])[cH:16][cH:17]2)[NH2:22])[OH:23])[cH:7][cH:8]1.[F:31][C:32]([c:33]1[cH:34][cH:35][c:36]([N:39]=[C:40]=[O:41])[cH:37][cH:38]1)([F:42])[F:43].[OH2:47]>>[F:2][c:3]1[cH:4][cH:5][c:6]([CH:9]([CH:10]([CH2:11][c:12]2[cH:13][cH:14][c:15]([C:18]([F:19])([F:20])[F:21])[cH:16][cH:17]2)[NH:22][C:40]([NH:39][c:36]2[cH:35][cH:34][c:33]([C:32]([F:31])([F:42])[F:43])[cH:38][cH:37]2)=[O:41])[OH:23])[cH:7][cH:8]1