HRID1232812

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID180

Acetone

C3H6O

HCID313

Hydrochloric Acid

ClH

2 次

HCID962

Water

H2O

HCID3283

Diethyl Ether

C4H10O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8058

n-Hexane

C6H14

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

HCID10752

Coumarin-3-carboxylic acid

C10H6O4

HCID76257

Diethylphosphorocyanidate

C5H10NO3P

HCID104095

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

C14H22N2O3

PRODUCTS

生成物

结构：COc1cc(CN2CCN(C(=O)c3cc4ccccc4oc3=O)CC2)cc(OC)c1OC

HCID14849702

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d9e3bd6d4c1649e8998d2377d0b8b8b1
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[C:43]([P:44](=[O:45])([O:46][CH2:47][CH3:48])[O:49][CH2:50][CH3:51])#[N:52].[CH2:53]([O:54][CH2:55][CH3:56])[CH3:57].[CH3:17][O:18][c:19]1[cH:20][c:21]([CH2:22][N:23]2[CH2:24][CH2:25][NH:26][CH2:27][CH2:28]2)[cH:29][c:30]([O:34][CH3:35])[c:31]1[O:32][CH3:33].[CH3:36][CH2:37][N:38]([CH2:39][CH3:40])[CH2:41][CH3:42].[CH3:58][C:59](=[O:60])[CH3:61].[CH3:62][CH2:63][CH2:64][CH2:65][CH2:66][CH3:67].[CH3:68][CH2:69][O:70][C:71](=[O:72])[CH3:73].[CH3:75][N:76]([CH3:77])[CH:78]=[O:79].[ClH:15].[ClH:16].[OH2:74].[o:1]1[c:2](=[O:3])[c:4]([C:12](=[O:13])[OH:14])[cH:5][c:6]2[cH:7][cH:8][cH:9][cH:10][c:11]12>>[o:1]1[c:2](=[O:3])[c:4]([C:12](=[O:14])[N:26]2[CH2:25][CH2:24][N:23]([CH2:22][c:21]3[cH:20][c:19]([O:18][CH3:17])[c:31]([O:32][CH3:33])[c:30]([O:34][CH3:35])[cH:29]3)[CH2:28][CH2:27]2)[cH:5][c:6]2[cH:7][cH:8][cH:9][cH:10][c:11]12