HRID194754

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID962

Water

H2O

HCID6342

Acetonitrile

C2H3N

HCID19660

Carbonate

CO3-2

HCID59568581

3-Bromo-5,6-dihydro-6-methyl-7H-pyrrolo[3,4-b]pyridin-7-one

C8H7BrN2O

结构：CC(C)(C)OC(=O)NC1(C(=O)NC(Cc2ccc(B3OC(C)(C)C(C)(C)O3)cc2)C(N)=O)CCOCC1

HCID66645178

未命名化合物

PRODUCTS

生成物

结构：CN1Cc2cc(-c3ccc(CC(NC(=O)C4(NC(=O)OC(C)(C)C)CCOCC4)C(N)=O)cc3)cnc2C1=O

HCID72328318

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6a315abe92c547b4ba05b9091da65185
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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