HRID86144

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID137097

2-Bromophenyl isocyanate

C7H4BrNO

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

HCID66603748

未命名化合物

PRODUCTS

生成物

结构：CCN(Cc1cc(C(F)(F)F)ccc1-c1cc(CC(=O)OC)ccc1OC)C(=O)Nc1ccccc1Br

HCID66607832

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-435ef3ccc5ac4b74883d8eceb60d993c
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

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