HRID103821

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID259

Bromide

Br-

HCID313

Hydrochloric Acid

ClH

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID16028

Tetrabutylammonium

C16H36N+

HCID332610

5-chloro-3-(chloromethyl)-1,2,4-thiadiazole

C3H2Cl2N2S

HCID14302359

未命名化合物

PRODUCTS

生成物

结构：COC(=O)C1CCCN1C(=O)C(CC(C)C)Nc1nc(CCl)ns1

HCID178498076

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ff227fbe4c7a4f92b5395215423ed5fe
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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