HRID297550

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID962

Water

H2O

HCID1140

Toluene

C7H8

HCID19660

Carbonate

CO3-2

HCID21964079

5-Bromo-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine

C7H7BrN2

结构：COc1ccc(-n2cccn2)c(-c2nc3cc(B4OC(C)(C)C(C)(C)O4)ccc3n2C(C)(C)C)c1

HCID58542076

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(-n2cccn2)c(-c2nc3cc(-c4cnc5c(c4)CCN5)ccc3n2C(C)(C)C)c1

HCID53239208

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-dbcc5c045339449f9c43cb6dba79aabf
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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