HRID1207708

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8028

Tetrahydrofuran

C4H8O

HCID8058

n-Hexane

C6H14

HCID11039

Propanoic acid, 2-methyl-, methyl ester

C5H10O2

HCID12679

Hexamethylphosphoramide

C6H18N3OP

HCID28486

Lithium ion

Li+

HCID5062348

未命名化合物

结构：ClCc1ccc2oc(-c3ccc4ccc(Cl)cc4n3)cc2c1

HCID22922126

未命名化合物

PRODUCTS

生成物

结构：COC(=O)C(C)(C)Cc1ccc2oc(-c3ccc4ccc(Cl)cc4n3)cc2c1

HCID22922190

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4878b62f902945cd92c8822ed9dfbb99
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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