HRID2144837

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID31275

1,4-Dioxane

C4H8O2

HCID4384952

Phosphine,bis(bicyclo[2.2.1]hept-2-yl)-

C14H23P

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：CC1CN(Cc2cnc(-c3cc(Cl)cc4c3cnn4S(=O)(=O)c3ccccc3)o2)CC(C)O1

HCID72327325

未命名化合物

HCID178482707

未命名化合物

PRODUCTS

生成物

结构：COc1ncc(-c2cc(-c3ncc(CN4CC(C)OC(C)C4)o3)c3cnn(S(=O)(=O)c4ccccc4)c3c2)cc1NS(=O)(=O)c1ccc(F)cc1F

HCID66693934

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-06be99b3a95d436bad11e7b59fa84285
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[CH2:64]1[O:65][CH2:66][CH2:67][O:68][CH2:69]1.[CH:70]12[CH2:71][CH:72]([CH2:73][CH2:74]1)[CH2:75][CH:76]2[PH:77][CH:78]1[CH2:79][CH:80]2[CH2:81][CH:82]1[CH2:83][CH2:84]2.[Cl:1][c:2]1[cH:3][c:4](-[c:20]2[o:21][c:22]([CH2:25][N:26]3[CH2:27][CH:28]([CH3:33])[O:29][CH:30]([CH3:32])[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.[Cl:85][Pd:86][c:87]1[cH:88][cH:89][cH:90][cH:91][c:92]1-[c:93]1[cH:94][cH:95][cH:96][cH:97][c:98]1[N:99]([CH3:100])[CH3:101].[F:34][c:35]1[c:36]([S:42](=[O:43])(=[O:44])[NH:45][c:46]2[c:47]([O:61][CH3:62])[n:48][cH:49][c:50]([B:52]3[O:53][C:54]([CH3:55])([CH3:56])[C:57]([CH3:58])([CH3:59])[O:60]3)[cH:51]2)[cH:37][cH:38][c:39]([F:41])[cH:40]1.[OH2:63]>>[c:2]1(-[c:50]2[cH:49][n:48][c:47]([O:61][CH3:62])[c:46]([NH:45][S:42]([c:36]3[c:35]([F:34])[cH:40][c:39]([F:41])[cH:38][cH:37]3)(=[O:43])=[O:44])[cH:51]2)[cH:3][c:4](-[c:20]2[o:21][c:22]([CH2:25][N:26]3[CH2:27][CH:28]([CH3:33])[O:29][CH:30]([CH3:32])[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