HRID293029

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID2734632

3-Chloro-4-fluorophenyl isocyanate

C7H3ClFNO

结构：CC1CN(C(=O)OC(C)(C)C)C(C)CN1CCCNC1COc2ccc(Br)cc2C1

HCID178430788

未命名化合物

PRODUCTS

生成物

结构：CC1CN(C(=O)OC(C)(C)C)C(C)CN1CCCN(C(=O)Nc1ccc(F)c(Cl)c1)C1COc2ccc(Br)cc2C1

HCID72995436

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-99a543f741994c908b45186c2866f3c4
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

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