HRID106921

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

3 次

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

HCID76257

Diethylphosphorocyanidate

C5H10NO3P

HCID104095

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

C14H22N2O3

HCID14676173

未命名化合物

PRODUCTS

生成物

HCID313

Hydrochloric Acid

ClH

结构：COc1cc2c(cc1OC)CCC(C(=O)N1CCN(Cc3cc(OC)c(OC)c(OC)c3)CC1)=C2

HCID11754997

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-fa21cdeda2e24d908ca4e22812a2fa59
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

[CH3:11][O:12][c:13]1[cH:14][c:15]2[c:20]([cH:21][c:22]1[O:23][CH3:24])[CH2:19][CH2:18][C:17]([C:25](=[O:26])[OH:27])=[CH:16]2.[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].[CH3:50][CH2:51][O:52][C:53](=[O:54])[CH3:55].[CH3:57][N:58]([CH3:59])[CH:60]=[O:61].[CH3:62][CH2:63][N:64]([CH2:65][CH3:66])[CH2:67][CH3:68].[ClH:28].[ClH:29].[ClH:49].[OH2:56].[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][c:15]2[c:20]([cH:21][c:22]1[O:23][CH3:24])[CH2:19][CH2:18][C:17]([C:25](=[O:27])[N:39]1[CH2:38][CH2:37][N:36]([CH2:35][c:34]3[cH:33][c:32]([O:31][CH3:30])[c:44]([O:45][CH3:46])[c:43]([O:47][CH3:48])[cH:42]3)[CH2:41][CH2:40]1)=[CH:16]2.[ClH:28]