HRID1147170

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6344

Dichloromethane

CH2Cl2

HCID8028

Tetrahydrofuran

C4H8O

HCID19660

Carbonate

CO3-2

HCID104967

Cesium(1+)

Cs+

2 次

HCID46941643

未命名化合物

结构：Cc1ccc(S(=O)(=O)n2ccc3c(B4OC(C)(C)C(C)(C)O4)ccnc32)cc1

HCID49758926

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

C20H23BN2O4S

PRODUCTS

生成物

结构：Cc1ccc(S(=O)(=O)n2ccc3c(-c4c(C)nc5ccc(Cl)nn45)ccnc32)cc1

HCID58046368

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a88ce1389c9f46788977972b4c928acd
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

[C:41](=[O:42])([O-:43])[O-:44].[CH3:13][c:14]1[cH:15][cH:16][c:17]([S:20](=[O:21])(=[O:22])[n:23]2[cH:24][cH:25][c:26]3[c:27]2[n:28][cH:29][cH:30][c:31]3[B:32]2[O:33][C:34]([CH3:35])([CH3:36])[C:37]([CH3:38])([CH3:39])[O:40]2)[cH:18][cH:19]1.[Cl:1][c:2]1[cH:3][cH:4][c:5]2[n:6]([n:7]1)[c:8]([I:12])[c:9]([CH3:11])[n:10]2.[Cl:53][CH2:54][Cl:55].[Cs+:45].[Cs+:46].[O:47]1[CH2:48][CH2:49][CH2:50][CH2:51]1.[OH2:52]>>[Cl:1][c:2]1[cH:3][cH:4][c:5]2[n:6]([n:7]1)[c:8](-[c:31]1[c:26]3[cH:25][cH:24][n:23]([S:20]([c:17]4[cH:16][cH:15][c:14]([CH3:13])[cH:19][cH:18]4)(=[O:21])=[O:22])[c:27]3[n:28][cH:29][cH:30]1)[c:9]([CH3:11])[n:10]2