HRID103778

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

2 次

HCID962

Water

H2O

HCID19660

Carbonate

CO3-2

HCID31275

1,4-Dioxane

C4H8O2

HCID2734369

[4-(Methoxycarbonyl)phenyl]boronic acid

C8H9BO4

结构：COCCCn1c(C2CCCN(C(=O)CC(Cc3ccc(Br)cc3)NC(=O)OC(C)(C)C)C2)nc2ccccc21

HCID77190932

未命名化合物

PRODUCTS

生成物

结构：COCCCn1c(C2CCCN(C(=O)CC(Cc3ccc(-c4ccc(C(=O)OC)cc4)cc3)NC(=O)OC(C)(C)C)C2)nc2ccccc21

HCID66784670

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8ba0c8829098493b818505ce377a1093
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[Br:1][c:2]1[cH:3][cH:4][c:5]([CH2:8][CH:9]([CH2:10][C:11](=[O:12])[N:13]2[CH2:14][CH:15]([c:19]3[n:20][c:21]4[c:22]([n:23]3[CH2:24][CH2:25][CH2:26][O:27][CH3:28])[cH:29][cH:30][cH:31][cH:32]4)[CH2:16][CH2:17][CH2:18]2)[NH:33][C:34]([O:35][C:36]([CH3:37])([CH3:38])[CH3:39])=[O:40])[cH:6][cH:7]1.[C:60](=[O:61])([O-:62])[O-:63].[CH3:41][O:42][C:43](=[O:44])[c:45]1[cH:46][cH:47][c:48]([B:51]([OH:52])[OH:53])[cH:49][cH:50]1.[Na+:64].[Na+:65].[O:54]1[CH2:55][CH2:56][O:57][CH2:58][CH2:59]1.[OH2:66]>>[c:2]1(-[c:48]2[cH:47][cH:46][c:45]([C:43]([O:42][CH3:41])=[O:44])[cH:50][cH:49]2)[cH:3][cH:4][c:5]([CH2:8][CH:9]([CH2:10][C:11](=[O:12])[N:13]2[CH2:14][CH:15]([c:19]3[n:20][c:21]4[c:22]([n:23]3[CH2:24][CH2:25][CH2:26][O:27][CH3:28])[cH:29][cH:30][cH:31][cH:32]4)[CH2:16][CH2:17][CH2:18]2)[NH:33][C:34]([O:35][C:36]([CH3:37])([CH3:38])[CH3:39])=[O:40])[cH:6][cH:7]1