HRID2343491

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID8022

Ethyl isocyanate

C3H5NO

HCID8028

Tetrahydrofuran

C4H8O

HCID8471

Triethylamine

C6H15N

HCID16028

Tetrabutylammonium

C16H36N+

HCID28179

Fluoride

F-

结构：C=CCN1CC(C(=O)NCCCN(C)C)CC2c3cccc4[nH]cc(c34)CC21

HCID10317664

未命名化合物

PRODUCTS

生成物

结构：C=CCN1CC(C(=O)N(CCCN(C)C)C(=O)NCC)CC2c3cccc4[nH]cc(c34)CC21

HCID2512

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1feeed871d614f68964a184d5f82dfb1
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[CH2:36]([CH3:37])[N:38]=[C:39]=[O:40].[CH2:59]1[O:60][CH2:61][CH2:62][CH2:63]1.[CH3:1][N:2]([CH2:3][CH2:4][CH2:5][NH:6][C:7](=[O:8])[CH:9]1[CH2:10][N:11]([CH2:25][CH:26]=[CH2:27])[CH:12]2[CH2:13][c:14]3[cH:15][nH:16][c:17]4[cH:18][cH:19][cH:20][c:21]([c:24]34)[CH:22]2[CH2:23]1)[CH3:28].[CH3:29][CH2:30][N:31]([CH2:32][CH3:33])[CH2:34][CH3:35].[CH3:42][CH2:43][CH2:44][CH2:45][N+:46]([CH2:47][CH2:48][CH2:49][CH3:50])([CH2:51][CH2:52][CH2:53][CH3:54])[CH2:55][CH2:56][CH2:57][CH3:58].[Cl:64][CH2:65][Cl:66].[F-:41]>>[CH3:1][N:2]([CH2:3][CH2:4][CH2:5][N:6]([C:7](=[O:8])[CH:9]1[CH2:10][N:11]([CH2:25][CH:26]=[CH2:27])[CH:12]2[CH2:13][c:14]3[cH:15][nH:16][c:17]4[cH:18][cH:19][cH:20][c:21]([c:24]34)[CH:22]2[CH2:23]1)[C:39]([NH:38][CH2:36][CH3:37])=[O:40])[CH3:28]