HRID317643

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8028

Tetrahydrofuran

C4H8O

HCID8058

n-Hexane

C6H14

HCID11654

1-Bromo-1-chloroethane

C2H4BrCl

HCID12679

Hexamethylphosphoramide

C6H18N3OP

HCID28486

Lithium ion

Li+

HCID5062348

未命名化合物

HCID14231031

未命名化合物

HCID178418339

未命名化合物

PRODUCTS

生成物

结构：COC(=O)C(CCl)(CCCCN=Cc1ccccc1)N=Cc1ccccc1

HCID14231032

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e2d2c12ffc844a39866a8714dca8f4ec
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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