HRID155925

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID1346

Ortho-Methoxyphenylpiperazine

C11H16N2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID64798

3,3-Diphenylpropionic acid

C15H14O2

HCID76257

Diethylphosphorocyanidate

C5H10NO3P

PRODUCTS

生成物

结构：COc1ccccc1N1CCN(C(=O)CC(c2ccccc2)c2ccccc2)CC1

HCID2862812

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c0f65baa882844809ed954fbadf51699
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[C:32]([P:33](=[O:34])([O:35][CH2:36][CH3:37])[O:38][CH2:39][CH3:40])#[N:41].[CH3:18][O:19][c:20]1[c:21]([N:26]2[CH2:27][CH2:28][NH:29][CH2:30][CH2:31]2)[cH:22][cH:23][cH:24][cH:25]1.[CH3:42][CH2:43][N:44]([CH2:45][CH3:46])[CH2:47][CH3:48].[CH3:49][N:50]([CH3:51])[CH:52]=[O:53].[OH2:54].[c:1]1([CH:7]([CH2:8][C:9](=[O:10])[OH:11])[c:12]2[cH:13][cH:14][cH:15][cH:16][cH:17]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1>>[c:1]1([CH:7]([CH2:8][C:9](=[O:11])[N:29]2[CH2:28][CH2:27][N:26]([c:21]3[c:20]([O:19][CH3:18])[cH:25][cH:24][cH:23][cH:22]3)[CH2:31][CH2:30]2)[c:12]2[cH:13][cH:14][cH:15][cH:16][cH:17]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1