HRID177378

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID923

Sodium ion

Na+

2 次

HCID962

Water

H2O

HCID8071

未命名化合物

HCID11776

Triphenylphosphine

C18H15P

2 次

HCID19660

Carbonate

CO3-2

HCID24290

未命名化合物

HCID11737393

2,6-Dichloro-4-iodopyridine

C5H2Cl2IN

结构：CC1(C)OB(c2cn(S(=O)(=O)c3ccccc3)c3ncccc23)OC1(C)C

HCID45588137

1-(Benzenesulfonyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[2,3-b]pyridine

C19H21BN2O4S

PRODUCTS

生成物

结构：O=S(=O)(c1ccccc1)n1cc(-c2cc(Cl)nc(Cl)c2)c2cccnc21

HCID86649869

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-98699d48e4c94f349ecc2f64de437e19
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

[CH2:44]([OH:45])[CH3:46].[CH3:47][O:48][CH2:49][CH2:50][O:51][CH3:52].[Cl:28][c:29]1[n:30][c:31]([Cl:36])[cH:32][c:33]([I:35])[cH:34]1.[Na+:37].[Na+:38].[O-:39][C:40](=[O:41])[O-:42].[OH2:43].[Pd:53]([Cl:54])[Cl:55].[c:1]1([S:7](=[O:8])(=[O:9])[n:10]2[cH:11][c:12]([B:19]3[O:20][C:21]([CH3:22])([CH3:23])[C:24]([CH3:25])([CH3:26])[O:27]3)[c:13]3[c:14]2[n:15][cH:16][cH:17][cH:18]3)[cH:2][cH:3][cH:4][cH:5][cH:6]1.[c:56]1([P:57]([c:58]2[cH:59][cH:60][cH:61][cH:62][cH:63]2)[c:64]2[cH:65][cH:66][cH:67][cH:68][cH:69]2)[cH:70][cH:71][cH:72][cH:73][cH:74]1.[c:75]1([P:76]([c:77]2[cH:78][cH:79][cH:80][cH:81][cH:82]2)[c:83]2[cH:84][cH:85][cH:86][cH:87][cH:88]2)[cH:89][cH:90][cH:91][cH:92][cH:93]1>>[c:1]1([S:7](=[O:8])(=[O:9])[n:10]2[cH:11][c:12](-[c:33]3[cH:32][c:31]([Cl:36])[n:30][c:29]([Cl:28])[cH:34]3)[c:13]3[c:14]2[n:15][cH:16][cH:17][cH:18]3)[cH:2][cH:3][cH:4][cH:5][cH:6]1