HRID208490

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

2 次

HCID6342

Acetonitrile

C2H3N

HCID8028

Tetrahydrofuran

C4H8O

HCID19660

Carbonate

CO3-2

HCID74653

3-Bromophenylacetic acid

C8H7BrO2

结构：COc1ccccc1-c1nn(COCC[Si](C)(C)C)c2ncc(B3OC(C)(C)C(C)(C)O3)cc12

HCID59836092

未命名化合物

PRODUCTS

生成物

结构：COc1ccccc1-c1nn(COCC[Si](C)(C)C)c2ncc(-c3cccc(CC(=O)O)c3)cc12

HCID57975859

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-bf00d9298ede4dedb94de606ca5653ac
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:35][c:36]1[cH:37][c:38]([CH2:42][C:43](=[O:44])[OH:45])[cH:39][cH:40][cH:41]1.[CH2:46]1[O:47][CH2:48][CH2:49][CH2:50]1.[CH3:1][O:2][c:3]1[c:4](-[c:9]2[n:10][n:11]([CH2:27][O:28][CH2:29][CH2:30][Si:31]([CH3:32])([CH3:33])[CH3:34])[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].[Na+:51].[Na+:52].[O-:53][C:54](=[O:55])[O-:56]>>[CH3:1][O:2][c:3]1[c:4](-[c:9]2[n:10][n:11]([CH2:27][O:28][CH2:29][CH2:30][Si:31]([CH3:32])([CH3:33])[CH3:34])[c:12]3[n:13][cH:14][c:15](-[c:36]4[cH:37][c:38]([CH2:42][C:43](=[O:44])[OH:45])[cH:39][cH:40][cH:41]4)[cH:16][c:17]23)[cH:5][cH:6][cH:7][cH:8]1