HRID196070

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID674

Dimethylamine

C2H7N

HCID962

Water

H2O

HCID1140

Toluene

C7H8

HCID6371

Phosgene

CCl2O

HCID8028

Tetrahydrofuran

C4H8O

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

反应SMILES：C=CCOC(=O)N1CC(O)CC1C=C(C)C(C)=O

HCID178459723

未命名化合物

PRODUCTS

产物

反应SMILES：C=CCOC(=O)N1CC(OC(=O)N(C)C)CC1C=C(C)C(C)=O

HCID178459748

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-009b4e8576b6436daf12f714f99d1131
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应SMILES

[CH2:5]([CH:6]=[CH2:7])[O:8][C:9](=[O:10])[N:11]1[CH:12]([CH:17]=[C:18]([C:19]([CH3:20])=[O:21])[CH3:22])[CH2:13][CH:14]([OH:16])[CH2:15]1.[CH3:23][NH:24][CH3:25].[CH3:27][c:28]1[cH:29][cH:30][cH:31][cH:32][cH:33]1.[CH3:40][CH2:41][O:42][C:43](=[O:44])[CH3:45].[CH3:46][CH2:47][N:48]([CH2:49][CH3:50])[CH2:51][CH3:52].[Cl:1][C:2]([Cl:3])=[O:4].[ClH:26].[O:34]1[CH2:35][CH2:36][CH2:37][CH2:38]1.[OH2:39]>>[C:2](=[O:4])([O:16][CH:14]1[CH2:13][CH:12]([CH:17]=[C:18]([C:19]([CH3:20])=[O:21])[CH3:22])[N:11]([C:9]([O:8][CH2:5][CH:6]=[CH2:7])=[O:10])[CH2:15]1)[N:24]([CH3:23])[CH3:25]