HRID1566286

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1140

Toluene

C7H8

HCID81531

Diisopropylethylamine

C8H19N

HCID521305

1-Chloroethyl carbonochloridate

C3H4Cl2O2

HCID66999216

未命名化合物

PRODUCTS

产物

HCID66999857

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-36815ccb7a6a4f979d530ba1e7df6743
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应SMILES

[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[N:8]1[CH2:9][CH:10]([c:23]2[cH:24][cH:25][c:26]([C:27]#[N:28])[cH:29][cH:30]2)[CH:11]([CH:13]([CH3:14])[O:15][c:16]2[n:17][cH:18][c:19]([Cl:22])[cH:20][cH:21]2)[CH2:12]1.[CH3:47][c:48]1[cH:49][cH:50][cH:51][cH:52][cH:53]1.[CH:38]([N:39]([CH2:40][CH3:41])[CH:42]([CH3:43])[CH3:44])([CH3:45])[CH3:46].[Cl:31][C:32]([O:33][CH:34]([Cl:35])[CH3:36])=[O:37]>>[NH:8]1[CH2:9][CH:10]([c:23]2[cH:24][cH:25][c:26]([C:27]#[N:28])[cH:29][cH:30]2)[CH:11]([CH:13]([CH3:14])[O:15][c:16]2[n:17][cH:18][c:19]([Cl:22])[cH:20][cH:21]2)[CH2:12]1