HRID302062

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

2 次

HCID962

Water

H2O

HCID8071

未命名化合物

HCID19660

Carbonate

CO3-2

HCID3249312

(3-Ethoxycarbonylphenyl)boronic acid

C9H11BO4

结构：CC(C)(C)OC(=O)N1CCC(c2cccc(Br)c2)C(OCc2ccc3ccccc3c2)C1

HCID54568307

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)c1cccc(-c2cccc(C3CCN(C(=O)OC(C)(C)C)CC3OCc3ccc4ccccc4c3)c2)c1

HCID67542665

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-176712f7d9a54f729ad12d47b8f34a03
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

[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH:10]([O:21][CH2:22][c:23]2[cH:24][c:25]3[cH:26][cH:27][cH:28][cH:29][c:30]3[cH:31][cH:32]2)[CH:11]([c:14]2[cH:15][c:16]([Br:20])[cH:17][cH:18][cH:19]2)[CH2:12][CH2:13]1.[C:53](=[O:54])([O-:55])[O-:56].[CH2:33]([CH3:34])[O:35][C:36](=[O:37])[c:38]1[cH:39][c:40]([B:44]([OH:45])[OH:46])[cH:41][cH:42][cH:43]1.[CH2:47]([CH2:48][O:49][CH3:50])[O:51][CH3:52].[Na+:57].[Na+:58].[OH2:59]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH:10]([O:21][CH2:22][c:23]2[cH:24][c:25]3[cH:26][cH:27][cH:28][cH:29][c:30]3[cH:31][cH:32]2)[CH:11]([c:14]2[cH:15][c:16](-[c:40]3[cH:39][c:38]([C:36]([O:35][CH2:33][CH3:34])=[O:37])[cH:43][cH:42][cH:41]3)[cH:17][cH:18][cH:19]2)[CH2:12][CH2:13]1