HRID2161721

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

反应SMILES：CC(C)(C)c1csc(-c2cc3cc(CCl)ccc3o2)n1

HCID19603727

未命名化合物

PRODUCTS

产物

反应SMILES：COC(=O)C(C)(C)Cc1ccc2oc(-c3nc(C(C)(C)C)cs3)cc2c1

HCID19092797

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-f0e3e56b5f7440fb961cf51d8dd3bfed
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应SMILES

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