HRID299749

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

2 次

HCID6342

Acetonitrile

C2H3N

HCID6344

Dichloromethane

CH2Cl2

HCID8028

Tetrahydrofuran

C4H8O

HCID19660

Carbonate

CO3-2

结构：CN(C)C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)ccc1N

HCID57416238

2-Amino-N,N-dimethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide

C15H23BN2O3

结构：CCn1nccc1-c1cn(COC(=O)C(C)(C)C)c2ncc(Br)cc12

HCID57731487

未命名化合物

PRODUCTS

生成物

结构：CCn1nccc1-c1cn(COC(=O)C(C)(C)C)c2ncc(-c3ccc(N)c(C(=O)N(C)C)c3)cc12

HCID57731545

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9a6667cd689c4268b7fe634fdfa8f008
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]2[c:5]([n:6][cH:7]1)[n:8]([CH2:18][O:19][C:20]([C:21]([CH3:22])([CH3:23])[CH3:24])=[O:25])[cH:9][c:10]2-[c:11]1[n:12]([CH2:16][CH3:17])[n:13][cH:14][cH:15]1.[CH3:61][C:62]#[N:63].[Cl:47][CH2:48][Cl:49].[NH2:26][c:27]1[c:28]([C:29](=[O:30])[N:31]([CH3:32])[CH3:33])[cH:34][c:35]([B:38]2[O:39][C:40]([CH3:41])([CH3:42])[C:43]([CH3:44])([CH3:45])[O:46]2)[cH:36][cH:37]1.[Na+:50].[Na+:51].[O-:52][C:53](=[O:54])[O-:55].[O:56]1[CH2:57][CH2:58][CH2:59][CH2:60]1>>[c:2]1(-[c:35]2[cH:34][c:28]([C:29](=[O:30])[N:31]([CH3:32])[CH3:33])[c:27]([NH2:26])[cH:37][cH:36]2)[cH:3][c:4]2[c:5]([n:6][cH:7]1)[n:8]([CH2:18][O:19][C:20]([C:21]([CH3:22])([CH3:23])[CH3:24])=[O:25])[cH:9][c:10]2-[c:11]1[n:12]([CH2:16][CH3:17])[n:13][cH:14][cH:15]1