HRID2335995

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(c5n[nH]c(-c6ccccn6)n5)CC4)cc3)c(-c3ccccc3)cc12

HCID178494091

未命名化合物

PRODUCTS

生成物

结构：O=c1[nH]ccc2nc(-c3ccc(CN4CCC(c5n[nH]c(-c6ccccn6)n5)CC4)cc3)c(-c3ccccc3)cc12

HCID178518688

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-44c056e1f9cc4ca38d666e75cf0609e1
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[CH3:1][O:2][c:3]1[c:4]2[cH:5][c:6](-[c:37]3[cH:38][cH:39][cH:40][cH:41][cH:42]3)[c:7](-[c:13]3[cH:14][cH:15][c:16]([CH2:19][N:20]4[CH2:21][CH2:22][CH:23]([c:26]5[n:27][nH:28][c:29](-[c:31]6[n:32][cH:33][cH:34][cH:35][cH:36]6)[n:30]5)[CH2:24][CH2:25]4)[cH:17][cH:18]3)[n:8][c:9]2[cH:10][cH:11][n:12]1.[ClH:43].[Na+:54].[O-:50][C:51]([OH:52])=[O:53].[OH2:55].[n:44]1[cH:45][cH:46][cH:47][cH:48][cH:49]1>>[O:2]=[c:3]1[c:4]2[cH:5][c:6](-[c:37]3[cH:38][cH:39][cH:40][cH:41][cH:42]3)[c:7](-[c:13]3[cH:14][cH:15][c:16]([CH2:19][N:20]4[CH2:21][CH2:22][CH:23]([c:26]5[n:27][nH:28][c:29](-[c:31]6[n:32][cH:33][cH:34][cH:35][cH:36]6)[n:30]5)[CH2:24][CH2:25]4)[cH:17][cH:18]3)[n:8][c:9]2[cH:10][cH:11][nH:12]1