HRID2126112

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID2733265

4-Chloro-3-(trifluoromethyl)phenyl isocyanate

C8H3ClF3NO

HCID23137246

未命名化合物

PRODUCTS

生成物

结构：CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)c(C)c2)ccn1

HCID10152023

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4edd2e474e804aa3a7fe9613f90f3c98
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

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