HRID1145725

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID223

Ammonia ion (NH4+)

H4N+

HCID312

Chloride

Cl-

HCID6328

Methyl iodide

CH3I

HCID7912

Diisopropylamine

C6H15N

HCID8028

Tetrahydrofuran

C4H8O

HCID8058

n-Hexane

C6H14

HCID12679

Hexamethylphosphoramide

C6H18N3OP

HCID28486

Lithium ion

Li+

HCID5062348

未命名化合物

结构：CC(=O)C=CC1=C(C)CC(O[Si](C)(C)C(C)(C)C)CC1(C)C

HCID54171858

未命名化合物

HCID178418339

Butyllithium

C4H9Li

PRODUCTS

生成物

结构：CCC(=O)C=CC1=C(C)CC(O[Si](C)(C)C(C)(C)C)CC1(C)C

HCID54562698

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9bca03ca84354d22a22191585cfe315a
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[C:21]([CH3:22])([CH3:23])([CH3:24])[Si:25]([O:26][CH:27]1[CH2:28][C:29]([CH3:40])=[C:30]([CH:35]=[CH:36][C:37]([CH3:38])=[O:39])[C:31]([CH3:33])([CH3:34])[CH2:32]1)([CH3:41])[CH3:42].[CH2:47]1[O:48][CH2:49][CH2:50][CH2:51]1.[CH2:8]([Li:9])[CH2:10][CH2:11][CH3:12].[CH3:14][CH:15]([N-:16][CH:17]([CH3:18])[CH3:19])[CH3:20].[CH3:43][I:44].[CH3:52][N:53]([CH3:54])[P:55](=[O:56])([N:57]([CH3:58])[CH3:59])[N:60]([CH3:61])[CH3:62].[CH3:63][CH2:64][CH2:65][CH2:66][CH2:67][CH3:68].[CH:1]([NH:2][CH:3]([CH3:4])[CH3:5])([CH3:6])[CH3:7].[Cl-:45].[Li+:13].[NH4+:46]>>[CH3:1][CH2:38][C:37]([CH:36]=[CH:35][C:30]1=[C:29]([CH3:40])[CH2:28][CH:27]([O:26][Si:25]([C:21]([CH3:22])([CH3:23])[CH3:24])([CH3:41])[CH3:42])[CH2:32][C:31]1([CH3:33])[CH3:34])=[O:39]