HRID309567

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

HCID2795502

4-{[4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl}morpholine

C17H26BNO3

结构：CCN(c1cc(Br)cc(C(=O)NCc2c(CO)cc(C)[nH]c2=O)c1C)C1CCOCC1

HCID70872413

未命名化合物

PRODUCTS

生成物

结构：CCN(c1cc(-c2ccc(CN3CCOCC3)cc2)cc(C(=O)NCc2c(CO)cc(C)[nH]c2=O)c1C)C1CCOCC1

HCID70872569

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d919d60724974f628b45a0362897f4a4
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

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