HRID302776

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

2 次

HCID923

Sodium ion

Na+

2 次

HCID962

Water

H2O

2 次

HCID1140

Toluene

C7H8

HCID19660

Carbonate

CO3-2

HCID2757009

6-bromopyridine-2-carbaldehyde

C6H4BrNO

结构：CC(C)(C)OC(=O)N(Cc1ccccc1B1OC(C)(C)C(C)(C)O1)c1ccccc1

HCID66795645

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N(Cc1ccccc1-c1cccc(C=O)n1)c1ccccc1

HCID58434438

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-551d8a934451499f9ad0c79044f71d89
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:8][c:9]1[cH:10][cH:11][cH:12][c:13]([CH:15]=[O:16])[n:14]1.[CH3:47][c:48]1[cH:49][cH:50][cH:51][cH:52][cH:53]1.[CH3:54][OH:55].[CH3:57][OH:58].[Na+:2].[Na+:3].[O-:4][C:5](=[O:6])[O-:7].[OH2:1].[OH2:56].[c:17]1([N:23]([C:24]([O:25][C:26]([CH3:27])([CH3:28])[CH3:29])=[O:30])[CH2:31][c:32]2[c:33]([B:38]3[O:39][C:40]([CH3:41])([CH3:42])[C:43]([CH3:44])([CH3:45])[O:46]3)[cH:34][cH:35][cH:36][cH:37]2)[cH:18][cH:19][cH:20][cH:21][cH:22]1>>[c:9]1(-[c:33]2[c:32]([CH2:31][N:23]([c:17]3[cH:18][cH:19][cH:20][cH:21][cH:22]3)[C:24]([O:25][C:26]([CH3:27])([CH3:28])[CH3:29])=[O:30])[cH:37][cH:36][cH:35][cH:34]2)[cH:10][cH:11][cH:12][c:13]([CH:15]=[O:16])[n:14]1