HRID213789

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID2733368

3,4-Dichlorobenzyl isocyanate

C8H5Cl2NO

结构：CCNCc1cc(C(F)(F)F)ccc1-c1cc(CC(=O)OCC)ccc1OC

HCID66604101

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)Cc1ccc(OC)c(-c2ccc(C(F)(F)F)cc2CN(CC)C(=O)NCc2ccc(Cl)c(Cl)c2)c1

HCID66604343

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1045caa68863402fa74a0c9e0d3c6899
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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