HRID117993

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1140

Toluene

C7H8

HCID676694

Methyl 1H-indole-7-carboxylate

C10H9NO2

HCID4622928

Cyanomethylenetributylphosphorane

C14H28NP

HCID17768191

(1-Phenylpiperidin-4-yl)methanol

C12H17NO

PRODUCTS

生成物

结构：COC(=O)c1cccc2ccn(CC3CCN(c4ccccc4)CC3)c12

HCID58307013

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1ed68438c14843fa9233d00d321270f8
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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