HRID181333

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

HCID813

Potassium cation

K+

HCID1140

Toluene

C7H8

HCID8028

Tetrahydrofuran

C4H8O

HCID14487

Diisobutylaluminum hydride

C8H19Al

HCID4574913

未命名化合物

PRODUCTS

生成物

HCID58215696

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7516ffeb851e4543b1ca9342eac11b30
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[CH2:1]([CH3:2])[n:3]1[c:4](-[c:14]2[cH:15][n:16][cH:17][cH:18][cH:19]2)[c:5]([C:12]#[N:13])[c:6]2[cH:7][cH:8][cH:9][cH:10][c:11]12.[CH2:30]([CH3:31])[O:32][CH2:33][P+:34]([c:35]1[cH:36][cH:37][cH:38][cH:39][cH:40]1)([c:41]1[cH:42][cH:43][cH:44][cH:45][cH:46]1)[c:47]1[cH:48][cH:49][cH:50][cH:51][cH:52]1.[CH2:59]([n:60]1[c:61]2[c:62]([cH:63][cH:64][cH:65][cH:66]2)[c:67]([CH:68]=[O:69])[c:70]1-[c:71]1[cH:72][n:73][cH:74][cH:75][cH:76]1)[CH3:77].[CH2:85]1[O:86][CH2:87][CH2:88][CH2:89]1.[CH3:20][CH:21]([CH2:22][AlH:23][CH2:24][CH:25]([CH3:26])[CH3:27])[CH3:28].[CH3:53][C:54]([CH3:55])([O-:56])[CH3:57].[CH3:78][c:79]1[cH:80][cH:81][cH:82][cH:83][cH:84]1.[Cl-:29].[K+:58]>>[CH2:1]([CH3:2])[n:3]1[c:4](-[c:14]2[cH:15][n:16][cH:17][cH:18][cH:19]2)[c:5]([CH2:12][CH2:33][O:32][CH2:30][CH3:31])[c:6]2[cH:7][cH:8][cH:9][cH:10][c:11]12