HRID170849

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID813

Potassium cation

K+

2 次

HCID962

Water

H2O

HCID1140

Toluene

C7H8

HCID19660

Carbonate

CO3-2

HCID3863163

4-(N-Boc-aminomethyl)phenylboronic acid

C12H18BNO4

HCID45787872

4-Bromo-2-tert-butoxypyridine

C9H12BrNO

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)NCc1ccc(-c2ccnc(OC(C)(C)C)c2)cc1

HCID71150186

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9ad5bfae261a47cbaee8a4f2917f3f65
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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