HRID91919

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID31275

1,4-Dioxane

C4H8O2

结构：COc1ncc(B2OC(C)(C)C(C)(C)O2)cc1NS(=O)(=O)c1ccc(F)cc1F

HCID59564705

2,4-Difluoro-N-[2-methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-3-yl]benzene-1-sulfonamide

C18H21BF2N2O5S

结构：CC(C)N1CCN(Cc2cnc(-c3cc(Cl)cc4c3cnn4S(=O)(=O)c3ccccc3)o2)CC1

HCID59564708

未命名化合物

PRODUCTS

生成物

结构：COc1ncc(-c2cc(-c3ncc(CN4CCN(C(C)C)CC4)o3)c3cnn(S(=O)(=O)c4ccccc4)c3c2)cc1NS(=O)(=O)c1ccc(F)cc1F

HCID59564709

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6544fb57675e4917bd98e68c499399d4
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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