HRID1124797

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

结构：CC(C)(C)OC(=O)NC1(c2ccc(B3OC(C)(C)C(C)(C)O3)cc2)CCC1

HCID58326444

tert-Butyl {1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]cyclobutyl}carbamate

C21H32BNO4

HCID67067867

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)NC1(c2ccc(-c3c(-c4ccccc4)oc4cc(Br)ccc4c3=O)cc2)CCC1

HCID67067747

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d579690e42f94d6f822e62694459764d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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