HRID1134116

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID6342

Acetonitrile

C2H3N

HCID8857

Ethyl acetate

C4H8O2

HCID2733958

2-Methoxyphenylboronic acid

C7H9BO3

结构：Cc1ccc(S(=O)(=O)n2cc(I)c3nc(Br)cnc32)cc1

HCID45789631

2-Bromo-7-iodo-5-(4-methylbenzene-1-sulfonyl)-5H-pyrrolo[2,3-b]pyrazine

C13H9BrIN3O2S

结构：Cl[Pd-2](Cl)([PH](c1ccccc1)(c1ccccc1)c1ccccc1)[PH](c1ccccc1)(c1ccccc1)c1ccccc1

HCID178418903

未命名化合物

PRODUCTS

生成物

结构：COc1ccccc1-c1cn(S(=O)(=O)c2ccc(C)cc2)c2ncc(Br)nc12

HCID59836045

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e678556f211a4918904d2fc36c2821b1
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[Br:1][c:2]1[n:3][c:4]2[c:5]([n:6][cH:7]1)[n:8]([S:12](=[O:13])(=[O:14])[c:15]1[cH:16][cH:17][c:18]([CH3:21])[cH:19][cH:20]1)[cH:9][c:10]2[I:11].[C:36](=[O:37])([OH:38])[O-:39].[CH3:22][O:23][c:24]1[c:25]([B:30]([OH:31])[OH:32])[cH:26][cH:27][cH:28][cH:29]1.[CH3:33][C:34]#[N:35].[CH3:82][CH2:83][O:84][C:85](=[O:86])[CH3:87].[Cl:41][Pd-2:42]([Cl:43])([PH:44]([c:45]1[cH:46][cH:47][cH:48][cH:49][cH:50]1)([c:51]1[cH:52][cH:53][cH:54][cH:55][cH:56]1)[c:57]1[cH:58][cH:59][cH:60][cH:61][cH:62]1)[PH:63]([c:64]1[cH:65][cH:66][cH:67][cH:68][cH:69]1)([c:70]1[cH:71][cH:72][cH:73][cH:74][cH:75]1)[c:76]1[cH:77][cH:78][cH:79][cH:80][cH:81]1.[Na+:40]>>[Br:1][c:2]1[n:3][c:4]2[c:5]([n:6][cH:7]1)[n:8]([S:12](=[O:13])(=[O:14])[c:15]1[cH:16][cH:17][c:18]([CH3:21])[cH:19][cH:20]1)[cH:9][c:10]2-[c:25]1[c:24]([O:23][CH3:22])[cH:29][cH:28][cH:27][cH:26]1