HRID673195

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

HCID66999637

未命名化合物

PRODUCTS

产物

HCID66999506

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-2d523efe1e7f4a4b9bf72f30cc6a7ec9
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

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:26]2[cH:27][cH:28][c:29]([C:30]#[N:31])[cH:32][cH:33]2)[CH:11]([CH:13]([CH3:14])[O:15][c:16]2[n:17][cH:18][c:19]([C:22]([F:23])([F:24])[F:25])[cH:20][cH:21]2)[CH2:12]1.[CH3:50][c:51]1[cH:52][cH:53][cH:54][cH:55][cH:56]1.[CH:41]([N:42]([CH2:43][CH3:44])[CH:45]([CH3:46])[CH3:47])([CH3:48])[CH3:49].[Cl:34][C:35]([O:36][CH:37]([Cl:38])[CH3:39])=[O:40]>>[NH:8]1[CH2:9][CH:10]([c:26]2[cH:27][cH:28][c:29]([C:30]#[N:31])[cH:32][cH:33]2)[CH:11]([CH:13]([CH3:14])[O:15][c:16]2[n:17][cH:18][c:19]([C:22]([F:23])([F:24])[F:25])[cH:20][cH:21]2)[CH2:12]1