HRID283323

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID85588

2-Fluorophenyl isocyanate

C7H4FNO

结构：CC(C)(C)NC(=O)c1cccc(CN2CCN(C(=O)c3ccc(N)c(F)c3)CC2)c1

HCID66878528

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)NC(=O)c1cccc(CN2CCN(C(=O)c3ccc(NC(=O)Nc4ccccc4F)c(F)c3)CC2)c1

HCID57917627

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-85456fb2d34d464fb703a37e9935c957
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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