HRID958164

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID1049

Pyridine

C5H5N

结构：COc1nccc2nc(-c3ccc(CN4CCC(n5ncc6c(N)ncnc65)CC4)cc3)c(-c3ccccc3)cc12

HCID59846151

未命名化合物

PRODUCTS

生成物

结构：Nc1ncnc2c1cnn2C1CCN(Cc2ccc(-c3nc4cc[nH]c(=O)c4cc3-c3ccccc3)cc2)CC1

HCID11555530

2-[4-[[4-(4-Amino-1H-pyrazolo[3,4-d]pyrimidin-1-yl)-1-piperidinyl]methyl]phenyl]-3-phenyl-1,6-naphthyridin-5(6H)-one

C31H28N8O

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7592fc33e30646bd9574fdb1b390a6e5
来源数据集: Validation data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Validation data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

[C:49](=[O:50])([OH:51])[O-:52].[CH3:1][O:2][c:3]1[c:4]2[cH:5][c:6](-[c:36]3[cH:37][cH:38][cH:39][cH:40][cH:41]3)[c:7](-[c:13]3[cH:14][cH:15][c:16]([CH2:17][N:18]4[CH2:19][CH2:20][CH:21]([n:24]5[n:25][cH:26][c:27]6[c:28]5[n:29][cH:30][n:31][c:32]6[NH2:33])[CH2:22][CH2:23]4)[cH:34][cH:35]3)[n:8][c:9]2[cH:10][cH:11][n:12]1.[ClH:42].[Na+:53].[OH2:54].[n:43]1[cH:44][cH:45][cH:46][cH:47][cH:48]1>>[O:2]=[c:3]1[c:4]2[cH:5][c:6](-[c:36]3[cH:37][cH:38][cH:39][cH:40][cH:41]3)[c:7](-[c:13]3[cH:14][cH:15][c:16]([CH2:17][N:18]4[CH2:19][CH2:20][CH:21]([n:24]5[n:25][cH:26][c:27]6[c:28]5[n:29][cH:30][n:31][c:32]6[NH2:33])[CH2:22][CH2:23]4)[cH:34][cH:35]3)[n:8][c:9]2[cH:10][cH:11][nH:12]1