HRID946493

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID263

1-Butanol

C4H10O

HCID813

Potassium cation

K+

3 次

HCID962

Water

H2O

HCID1061

Phosphate

O4P-3

HCID8857

Ethyl Acetate

C4H8O2

HCID52911268

3-Amino-5-bromo-1-methylpyridin-2(1H)-one

C6H7BrN2O

HCID59216471

未命名化合物

PRODUCTS

产物

HCID59216381

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-209140fb2e7e4196886fc8c8e551e3f8
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

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