HRID934047

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID1140

Toluene

C7H8

HCID3863163

4-(N-Boc-aminomethyl)phenylboronic acid

C12H18BNO4

结构：Brc1c(-c2ccccc2)nc2n1-c1cccnc1Nc1ccccc1-2

HCID67503013

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)NCc1ccc(-c2c(-c3ccccc3)nc3n2-c2cccnc2Nc2ccccc2-3)cc1

HCID67503559

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1582fe4d728e428785c6e0877872a0e7
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

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