HRID667727

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

2 次

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID166653

Hydride

H-

HCID577606

1-(3-Chloropropyl)piperazine

C7H15ClN2

HCID76750894

未命名化合物

HCID86653555

2-amino-7-(4-fluoro-biphenyl-2-yl)-4-methyl-7,8-dihydro-6H-quinazolin-5-one O-(3-dimethylamino-propyl)-oxime

C26H30FN5O

PRODUCTS

产物

HCID76750904

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-92197bc15e6341299fdaf5710377db31
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应SMILES

[CH3:41][N:42]([CH3:43])[CH2:44][CH2:45][CH2:46][O:47][N:48]=[C:49]1[CH2:50][CH:51]([c:52]2[cH:53][c:54]([F:55])[cH:56][cH:57][c:58]2-[c:59]2[cH:60][cH:61][cH:62][cH:63][cH:64]2)[CH2:65][c:66]2[n:67][c:68]([NH2:69])[n:70][c:71]([CH3:72])[c:73]21.[Cl:29][CH2:30][CH2:31][CH2:32][N:33]1[CH2:34][CH2:35][NH:36][CH2:37][CH2:38]1.[ClH:27].[ClH:28].[H-:39].[NH2:1][c:2]1[n:3][c:4]2[c:9]([c:10]([CH3:12])[n:11]1)[C:8](=[N:13][OH:14])[CH2:7][CH:6]([c:15]1[c:16](-[c:21]3[cH:22][cH:23][cH:24][cH:25][cH:26]3)[cH:17][cH:18][cH:19][cH:20]1)[CH2:5]2.[Na+:40].[OH2:74]>>[NH2:1][c:2]1[n:3][c:4]2[c:9]([c:10]([CH3:12])[n:11]1)[C:8](=[N:13][O:14][CH2:30][CH2:31][CH2:32][N:33]1[CH2:34][CH2:35][NH:36][CH2:37][CH2:38]1)[CH2:7][CH:6]([c:15]1[c:16](-[c:21]3[cH:22][cH:23][cH:24][cH:25][cH:26]3)[cH:17][cH:18][cH:19][cH:20]1)[CH2:5]2