HRID304848

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

2 次

HCID962

Water

H2O

HCID6342

Acetonitrile

C2H3N

HCID11776

Triphenylphosphine

C18H15P

2 次

HCID19660

Carbonate

CO3-2

HCID24290

未命名化合物

HCID70622

2-Amino-5-bromopyridine

C5H5BrN2

结构：CC1(C)OB(c2ccc(S(=O)(=O)NC3CC3)cc2)OC1(C)C

HCID16414186

N-Cyclopropyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzene-1-sulfonamide

C15H22BNO4S

PRODUCTS

生成物

结构：Nc1ccc(-c2ccc(S(=O)(=O)NC3CC3)cc2)cn1

HCID70654684

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6e3ca20bdbb64fa7a8602ecc46722327
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

[CH3:37][C:38]#[N:39].[CH:9]1([NH:12][S:13](=[O:14])(=[O:15])[c:16]2[cH:17][cH:18][c:19]([B:22]3[O:23][C:24]([CH3:25])([CH3:26])[C:27]([CH3:28])([CH3:29])[O:30]3)[cH:20][cH:21]2)[CH2:10][CH2:11]1.[NH2:1][c:2]1[n:3][cH:4][c:5]([Br:8])[cH:6][cH:7]1.[Na+:31].[Na+:32].[O-:33][C:34](=[O:35])[O-:36].[OH2:81].[Pd:40]([Cl:41])[Cl:42].[c:43]1([P:44]([c:45]2[cH:46][cH:47][cH:48][cH:49][cH:50]2)[c:51]2[cH:52][cH:53][cH:54][cH:55][cH:56]2)[cH:57][cH:58][cH:59][cH:60][cH:61]1.[c:62]1([P:63]([c:64]2[cH:65][cH:66][cH:67][cH:68][cH:69]2)[c:70]2[cH:71][cH:72][cH:73][cH:74][cH:75]2)[cH:76][cH:77][cH:78][cH:79][cH:80]1>>[NH2:1][c:2]1[n:3][cH:4][c:5](-[c:19]2[cH:18][cH:17][c:16]([S:13]([NH:12][CH:9]3[CH2:10][CH2:11]3)(=[O:14])=[O:15])[cH:21][cH:20]2)[cH:6][cH:7]1