HRID1556028

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID923

Sodium ion

Na+

3 次

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID19660

Carbonate

CO3-2

HCID28123

Tetrahydroborate

H4B-

结构：COc1cc(-c2csc3c(C=CCO)cnc(N)c23)ccc1NC(=O)c1cc2ccccc2n1C

HCID68678827

未命名化合物

PRODUCTS

生成物

HCID18451204

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-354cb42519c347ad8bdc82aa33861980
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

[BH4-:38].[CH3:36][OH:37].[CH3:46][N:47]([CH3:48])[CH:49]=[O:50].[NH2:1][c:2]1[n:3][cH:4][c:5]([CH:32]=[CH:33][CH2:34][OH:35])[c:6]2[c:7]1[c:8](-[c:11]1[cH:12][c:13]([O:30][CH3:31])[c:14]([NH:17][C:18](=[O:19])[c:20]3[n:21]([CH3:29])[c:22]4[cH:23][cH:24][cH:25][cH:26][c:27]4[cH:28]3)[cH:15][cH:16]1)[cH:9][s:10]2.[Na+:39].[Na+:40].[Na+:41].[O-:42][C:43](=[O:44])[O-:45]>>[NH2:1][c:2]1[n:3][cH:4][c:5]([CH2:32][CH2:33][CH2:34][OH:35])[c:6]2[c:7]1[c:8](-[c:11]1[cH:12][c:13]([O:30][CH3:31])[c:14]([NH:17][C:18](=[O:19])[c:20]3[n:21]([CH3:29])[c:22]4[cH:23][cH:24][cH:25][cH:26][c:27]4[cH:28]3)[cH:15][cH:16]1)[cH:9][s:10]2