HRID2132577

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

反应SMILES：CC(Oc1ccc(Cl)cn1)C1CN(Cc2ccccc2)CC1c1ccc(Cl)cc1

HCID178466578

未命名化合物

PRODUCTS

产物

反应SMILES：CC(Oc1ccc(Cl)cn1)C1CNCC1c1ccc(Cl)cc1

HCID67134678

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-f1e99101ba584790b15eced6206b8e4d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

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