HRID301760

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID6342

Acetonitrile

C2H3N

HCID6344

Dichloromethane

CH2Cl2

HCID77683

Methyl 5-bromosalicylate

C8H7BrO3

结构：COc1ccccc1-c1cn(S(=O)(=O)c2ccc(C)cc2)c2ncc(B3OC(C)(C)C(C)(C)O3)cc12

HCID16039067

未命名化合物

PRODUCTS

生成物

结构：COC(=O)c1cc(-c2cnc3c(c2)c(-c2ccccc2OC)cn3S(=O)(=O)c2ccc(C)cc2)ccc1O

HCID59699712

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c57fdc3a4e9640c085a084b91552cb56
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:37][c:38]1[cH:39][cH:40][c:41]([OH:48])[c:42]([C:43](=[O:44])[O:45][CH3:46])[cH:47]1.[CH3:1][O:2][c:3]1[c:4](-[c:9]2[cH:10][n:11]([S:27](=[O:28])(=[O:29])[c:30]3[cH:31][cH:32][c:33]([CH3:36])[cH:34][cH:35]3)[c:12]3[n:13][cH:14][c:15]([B:18]4[O:19][C:20]([CH3:21])([CH3:22])[C:23]([CH3:24])([CH3:25])[O:26]4)[cH:16][c:17]23)[cH:5][cH:6][cH:7][cH:8]1.[CH3:57][C:58]#[N:59].[Cl:49][CH2:50][Cl:51].[Na+:56].[O-:52][C:53]([OH:54])=[O:55]>>[CH3:1][O:2][c:3]1[c:4](-[c:9]2[cH:10][n:11]([S:27](=[O:28])(=[O:29])[c:30]3[cH:31][cH:32][c:33]([CH3:36])[cH:34][cH:35]3)[c:12]3[n:13][cH:14][c:15](-[c:38]4[cH:39][cH:40][c:41]([OH:48])[c:42]([C:43](=[O:44])[O:45][CH3:46])[cH:47]4)[cH:16][c:17]23)[cH:5][cH:6][cH:7][cH:8]1