HRID88391

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

2 次

HCID13387

N-Methyl-2-pyrrolidone

C5H9NO

HCID117326

1-Propanol, 3-amino-2,2-dimethyl-

C5H13NO

HCID2724942

未命名化合物

结构：O=Cc1ccc(-c2nc3ccnc(-c4cn[nH]c4)c3cc2-c2ccccc2)cc1

HCID57500726

未命名化合物

PRODUCTS

生成物

结构：CC(C)(CO)CNCc1ccc(-c2nc3ccnc(-c4cn[nH]c4)c3cc2-c2ccccc2)cc1

HCID46893992

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-931765c1eac04a978551c6ba64b7e032
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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