HRID203693

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(C)cc(C)[nH]c2=O)c1C)C1CCSCC1

HCID70872751

未命名化合物

PRODUCTS

生成物

结构：CCN(c1cc(-c2ccc(CN3CCOCC3)cc2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCSCC1

HCID70872478

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-81cbae2bab47404289e1a0d3ab162ab7
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:1][c:2]1[cH:3][c:4]([N:22]([CH:23]2[CH2:24][CH2:25][S:26][CH2:27][CH2:28]2)[CH2:29][CH3:30])[c:5]([CH3:21])[c:6]([C:7](=[O:8])[NH:9][CH2:10][c:11]2[c:12](=[O:19])[nH:13][c:14]([CH3:18])[cH:15][c:16]2[CH3:17])[cH:20]1.[CH3:31][C:32]1([CH3:33])[C:34]([CH3:35])([CH3:36])[O:37][B:38]([c:39]2[cH:40][cH:41][c:42]([CH2:43][N:44]3[CH2:45][CH2:46][O:47][CH2:48][CH2:49]3)[cH:50][cH:51]2)[O:52]1.[Na+:53].[Na+:54].[O-:55][C:56](=[O:57])[O-:58].[O:59]1[CH2:60][CH2:61][O:62][CH2:63][CH2:64]1.[OH2:65]>>[c:2]1(-[c:39]2[cH:40][cH:41][c:42]([CH2:43][N:44]3[CH2:45][CH2:46][O:47][CH2:48][CH2:49]3)[cH:50][cH:51]2)[cH:3][c:4]([N:22]([CH:23]2[CH2:24][CH2:25][S:26][CH2:27][CH2:28]2)[CH2:29][CH3:30])[c:5]([CH3:21])[c:6]([C:7](=[O:8])[NH:9][CH2:10][c:11]2[c:12](=[O:19])[nH:13][c:14]([CH3:18])[cH:15][c:16]2[CH3:17])[cH:20]1