HRID2322106

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

2 次

HCID962

Water

H2O

HCID3283

Diethyl Ether

C4H10O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID76257

Diethylphosphorocyanidate

C5H10NO3P

HCID104095

1-[(3,4,5-Trimethoxyphenyl)methyl]piperazine

C14H22N2O3

HCID19841200

未命名化合物

PRODUCTS

生成物

HCID313

Hydrochloric Acid

ClH

结构：COc1cc(CN2CCN(C(=O)C3=CCCc4c3ccc(OC)c4OC)CC2)cc(OC)c1OC

HCID19841215

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-914b08ede2244379867c1b607022bd63
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[CH2:56]([O:57][CH2:58][CH3:59])[CH3:60].[CH3:11][O:12][c:13]1[cH:14][cH:15][c:16]2[c:21]([c:22]1[O:23][CH3:24])[CH2:20][CH2:19][CH:18]=[C:17]2[C:25](=[O:26])[OH:27].[CH3:30][O:31][c:32]1[cH:33][c:34]([CH2:35][N:36]2[CH2:37][CH2:38][NH:39][CH2:40][CH2:41]2)[cH:42][c:43]([O:47][CH3:48])[c:44]1[O:45][CH3:46].[CH3:49][CH2:50][N:51]([CH2:52][CH3:53])[CH2:54][CH3:55].[CH3:62][N:63]([CH3:64])[CH:65]=[O:66].[ClH:28].[ClH:29].[OH2:61].[P:1]([C:2]#[N:3])(=[O:4])([O:5][CH2:6][CH3:7])[O:8][CH2:9][CH3:10]>>[CH3:11][O:12][c:13]1[cH:14][cH:15][c:16]2[c:21]([c:22]1[O:23][CH3:24])[CH2:20][CH2:19][CH:18]=[C:17]2[C:25](=[O:27])[N:39]1[CH2:38][CH2:37][N:36]([CH2:35][c:34]2[cH:33][c:32]([O:31][CH3:30])[c:44]([O:45][CH3:46])[c:43]([O:47][CH3:48])[cH:42]2)[CH2:41][CH2:40]1.[ClH:28]