HRID154756

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1140

Toluene

C7H8

HCID6344

Dichloromethane

CH2Cl2

HCID6371

Phosgene

CCl2O

HCID7525

N-Ethylmorpholine

C6H13NO

HCID8857

Ethyl acetate

C4H8O2

反应SMILES：CC(C)CC(C(=O)NNC(=O)CN)C(CC=Cc1ccccc1)C(=O)OC(C)(C)C

HCID178445412

未命名化合物

PRODUCTS

产物

反应SMILES：CC(C)CC(C(=O)NN1C(=O)CNC1=O)C(CC=Cc1ccccc1)C(=O)OC(C)(C)C

HCID178445300

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-bb9f22cacc5d4414bdae00f9fd486943
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应SMILES

[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[CH:8]([CH2:9][CH:10]=[CH:11][c:12]1[cH:13][cH:14][cH:15][cH:16][cH:17]1)[CH:18]([C:19](=[O:20])[NH:21][NH:22][C:23]([CH2:24][NH2:25])=[O:26])[CH2:27][CH:28]([CH3:29])[CH3:30].[CH2:31]([N:32]1[CH2:33][CH2:34][O:36][CH2:35][CH2:37]1)[CH3:38].[CH3:46][c:47]1[cH:48][cH:49][cH:50][cH:51][cH:52]1.[CH3:53][CH2:54][O:55][C:56](=[O:57])[CH3:58].[Cl:39][C:40](=[O:41])[Cl:42].[Cl:43][CH2:44][Cl:45]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[CH:8]([CH2:9][CH:10]=[CH:11][c:12]1[cH:13][cH:14][cH:15][cH:16][cH:17]1)[CH:18]([C:19](=[O:20])[NH:21][N:22]1[C:23](=[O:26])[CH2:24][NH:25][C:35]1=[O:36])[CH2:27][CH:28]([CH3:29])[CH3:30]