HRID211378

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8058

n-Hexane

C6H14

HCID8857

Ethyl acetate

C4H8O2

HCID551541

2-Bromo-4-methylthiazole

C4H4BrNS

结构：Cc1c(NC(=O)CC(C)(C)C)c(C)c2c(c1B(O)O)OCC2c1ccc(C(C)C)cc1

HCID23114225

未命名化合物

PRODUCTS

生成物

结构：Cc1csc(-c2c(C)c(NC(=O)CC(C)(C)C)c(C)c3c2OCC3c2ccc(C(C)C)cc2)n1

HCID23114410

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2bd14b5e886a4ae4ba0250f08b1509a2
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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