HRID90127

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

3 次

HCID962

Water

H2O

HCID3283

Diethyl Ether

C4H10O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

2 次

HCID10700

2-Thiophenecarboxylic acid

C5H4O2S

HCID76257

Diethylphosphorocyanidate

C5H10NO3P

HCID104095

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

C14H22N2O3

PRODUCTS

生成物

HCID313

Hydrochloric Acid

ClH

结构：COc1cc(CN2CCN(C(=O)c3cccs3)CC2)cc(OC)c1OC

HCID1131689

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-49108f9d62704e48b931e9e76bf1d519
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

[C:30]([P:31](=[O:32])([O:33][CH2:34][CH3:35])[O:36][CH2:37][CH3:38])#[N:39].[C:46]([O:47][CH2:48][CH3:49])(=[O:50])[CH3:51].[CH2:41]([O:42][CH2:43][CH3:44])[CH3:45].[CH3:11][O:12][c:13]1[cH:14][c:15]([CH2:16][N:17]2[CH2:18][CH2:19][NH:20][CH2:21][CH2:22]2)[cH:23][c:24]([O:28][CH3:29])[c:25]1[O:26][CH3:27].[CH3:52][CH2:53][O:54][C:55](=[O:56])[CH3:57].[CH3:59][N:60]([CH3:61])[CH:62]=[O:63].[CH3:64][CH2:65][N:66]([CH2:67][CH3:68])[CH2:69][CH3:70].[ClH:10].[ClH:40].[ClH:9].[OH2:58].[s:1]1[c:2]([C:6](=[O:7])[OH:8])[cH:3][cH:4][cH:5]1>>[ClH:9].[s:1]1[c:2]([C:6](=[O:8])[N:20]2[CH2:19][CH2:18][N:17]([CH2:16][c:15]3[cH:14][c:13]([O:12][CH3:11])[c:25]([O:26][CH3:27])[c:24]([O:28][CH3:29])[cH:23]3)[CH2:22][CH2:21]2)[cH:3][cH:4][cH:5]1