HRID306871

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

2 次

HCID8071

未命名化合物

HCID19660

Carbonate

CO3-2

结构：Cc1ccc(S(=O)(=O)n2cc(B3OC(C)(C)C(C)(C)O3)c3cccnc32)cc1

HCID49758959

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

C20H23BN2O4S

HCID86682097

Isovaline, N-(2-chloro-4-pyrimidinyl)-, methyl ester

C10H14ClN3O2

PRODUCTS

生成物

结构：CCC(C)(Nc1ccnc(-c2cn(S(=O)(=O)c3ccc(C)cc3)c3ncccc23)n1)C(=O)OC

HCID71187500

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a605a412ddd34396af1dc97404644b4a
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

[CH3:51][O:52][CH2:53][CH2:54][O:55][CH3:56].[Cl:29][c:30]1[n:31][cH:32][cH:33][c:34]([NH:36][C:37]([C:38](=[O:39])[O:40][CH3:41])([CH2:42][CH3:43])[CH3:44])[n:35]1.[Na+:45].[Na+:46].[O-:47][C:48](=[O:49])[O-:50].[c:1]1([CH3:28])[cH:2][cH:3][c:4]([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:5][cH:6]1>>[c:1]1([CH3:28])[cH:2][cH:3][c:4]([S:7](=[O:8])(=[O:9])[n:10]2[cH:11][c:12](-[c:30]3[n:31][cH:32][cH:33][c:34]([NH:36][C:37]([C:38](=[O:39])[O:40][CH3:41])([CH2:42][CH3:43])[CH3:44])[n:35]3)[c:13]3[c:14]2[n:15][cH:16][cH:17][cH:18]3)[cH:5][cH:6]1