HRID1554116

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

2 次

HCID6228

Dimethylformamide

C3H7NO

HCID8028

Tetrahydrofuran

C4H8O

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

HCID76257

Diethylphosphorocyanidate

C5H10NO3P

HCID10878635

未命名化合物

HCID10943925

未命名化合物

PRODUCTS

产物

反应SMILES：O=C(NC1CCN(CCCc2ccccc2)CC1)C1=Cc2cnc3cccc(n23)S1

HCID9811366

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-80e7098fbdbd460f8ad842e91dd21a22
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应SMILES

[C:41]([P:42](=[O:43])([O:44][CH2:45][CH3:46])[O:47][CH2:48][CH3:49])#[N:50].[CH3:1][CH2:2][N:3]([CH2:4][CH3:5])[CH2:6][CH3:7].[CH3:56][CH2:57][O:58][C:59](=[O:60])[CH3:61].[CH3:62][N:63]([CH3:64])[CH:65]=[O:66].[ClH:8].[ClH:9].[NH2:10][CH:11]1[CH2:12][CH2:13][N:14]([CH2:17][CH2:18][CH2:19][c:20]2[cH:21][cH:22][cH:23][cH:24][cH:25]2)[CH2:15][CH2:16]1.[O:51]1[CH2:52][CH2:53][CH2:54][CH2:55]1.[n:26]1[cH:27][c:28]2[cH:29][c:30]([C:38](=[O:39])[OH:40])[s:31][c:32]3[cH:33][cH:34][cH:35][c:36]1[n:37]23>>[NH:10]([CH:11]1[CH2:12][CH2:13][N:14]([CH2:17][CH2:18][CH2:19][c:20]2[cH:21][cH:22][cH:23][cH:24][cH:25]2)[CH2:15][CH2:16]1)[C:38]([c:30]1[cH:29][c:28]2[cH:27][n:26][c:36]3[cH:35][cH:34][cH:33][c:32]([s:31]1)[n:37]23)=[O:39]