HRID293299

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1140

Toluene

C7H8

HCID6371

Phosgene

CCl2O

HCID81531

Diisopropylethylamine

C8H19N

结构：CC(=O)N(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C1CCCNc2cc(Cl)ccc21

HCID59003177

未命名化合物

PRODUCTS

生成物

结构：CC(=O)N(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C1CCCN(C(=O)Cl)c2cc(Cl)ccc21

HCID86616083

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ad33d0f8b9b54992bdb0978ca58b1e45
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

[CH3:45][c:46]1[cH:47][cH:48][cH:49][cH:50][cH:51]1.[CH:5]([N:6]([CH:7]([CH3:8])[CH3:9])[CH2:10][CH3:11])([CH3:12])[CH3:13].[Cl:1][C:2]([Cl:3])=[O:4].[F:14][C:15]([c:16]1[cH:17][c:18]([CH2:19][N:20]([C:21]([CH3:22])=[O:23])[CH:24]2[c:25]3[c:26]([cH:31][c:32]([Cl:35])[cH:33][cH:34]3)[NH:27][CH2:28][CH2:29][CH2:30]2)[cH:36][c:37]([C:39]([F:40])([F:41])[F:42])[cH:38]1)([F:43])[F:44]>>[Cl:1][C:2](=[O:4])[N:27]1[c:26]2[c:25]([cH:34][cH:33][c:32]([Cl:35])[cH:31]2)[CH:24]([N:20]([CH2:19][c:18]2[cH:17][c:16]([C:15]([F:14])([F:43])[F:44])[cH:38][c:37]([C:39]([F:40])([F:41])[F:42])[cH:36]2)[C:21]([CH3:22])=[O:23])[CH2:30][CH2:29][CH2:28]1