HRID306809

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID7848

1-Propanethiol

C3H8S

HCID8028

Tetrahydrofuran

C4H8O

HCID8058

n-Hexane

C6H14

HCID12679

Hexamethylphosphoramide

C6H18N3OP

HCID28486

Lithium ion

Li+

结构：C=CCN1CCC(O)CC1c1ccc(C(C)(C)CCCCCC)cc1OCc1ccccc1

HCID20274338

未命名化合物

HCID21633594

未命名化合物

HCID178418339

Butyllithium

C4H9Li

PRODUCTS

生成物

结构：C=CCN1CCC(O)CC1c1ccc(C(C)(C)CCCCCC)cc1O

HCID20274352

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-21ef16dac4f0452bb9b0c46e9ddb7272
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

[CH2:10]([CH:11]=[CH2:12])[N:13]1[CH:14]([c:20]2[c:21]([O:35][CH2:36][c:37]3[cH:38][cH:39][cH:40][cH:41][cH:42]3)[cH:22][c:23]([C:26]([CH2:27][CH2:28][CH2:29][CH2:30][CH2:31][CH3:32])([CH3:33])[CH3:34])[cH:24][cH:25]2)[CH2:15][CH:16]([OH:19])[CH2:17][CH2:18]1.[CH2:1]([SH:2])[CH2:3][CH3:4].[CH2:43]([S-:44])[CH2:45][CH3:46].[CH2:5]([Li:6])[CH2:7][CH2:8][CH3:9].[CH3:53][CH2:54][CH2:55][CH2:56][CH2:57][CH3:58].[CH3:59][N:60]([P:61]([N:62]([CH3:63])[CH3:64])([N:65]([CH3:66])[CH3:67])=[O:68])[CH3:69].[Li+:47].[O:48]1[CH2:49][CH2:50][CH2:51][CH2:52]1>>[CH2:10]([CH:11]=[CH2:12])[N:13]1[CH:14]([c:20]2[c:21]([OH:35])[cH:22][c:23]([C:26]([CH2:27][CH2:28][CH2:29][CH2:30][CH2:31][CH3:32])([CH3:33])[CH3:34])[cH:24][cH:25]2)[CH2:15][CH:16]([OH:19])[CH2:17][CH2:18]1