HRID114070

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID923

Sodium ion

Na+

2 次

HCID1140

Toluene

C7H8

HCID19660

Carbonate

CO3-2

HCID2734378

3-Pyridinylboronic acid

C5H6BNO2

结构：COC(=O)c1cc(Br)ccc1NC(=O)COCC(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1

HCID51040586

未命名化合物

PRODUCTS

生成物

结构：COC(=O)c1cc(-c2cccnc2)ccc1NC(=O)COCC(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1

HCID51041417

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-528344f293e441e590b22ea220e54457
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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