HRID1236516

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID8857

Ethyl acetate

C4H8O2

HCID19660

Carbonate

CO3-2

HCID31275

1,4-Dioxane

C4H8O2

HCID104967

Cesium(1+)

Cs+

2 次

HCID53363739

[4-Fluoro-2-methoxy-5-(propan-2-yl)phenyl]boronic acid

C10H14BFO3

结构：COc1cc(Br)c(CN(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2ncc(OCCCC(=O)OC(C)(C)C)cn2)cc1OC

HCID86626904

未命名化合物

PRODUCTS

生成物

结构：COc1cc(CN(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2ncc(OCCCC(=O)OC(C)(C)C)cn2)c(-c2cc(C(C)C)c(F)cc2OC)cc1OC

HCID86626905

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-858313dab51749d9818c7a3f5cd3f43b
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[C:61](=[O:62])([O-:63])[O-:64].[CH2:73]1[O:74][CH2:75][CH2:76][O:77][CH2:78]1.[CH3:67][CH2:68][O:69][C:70](=[O:71])[CH3:72].[Cs+:65].[Cs+:66].[F:1][C:2]([c:3]1[cH:4][c:5]([CH2:6][N:7]([c:8]2[n:9][cH:10][c:11]([O:14][CH2:15][CH2:16][CH2:17][C:18](=[O:19])[O:20][C:21]([CH3:22])([CH3:23])[CH3:24])[cH:12][n:13]2)[CH2:25][c:26]2[c:27]([Br:36])[cH:28][c:29]([O:34][CH3:35])[c:30]([O:32][CH3:33])[cH:31]2)[cH:37][c:38]([C:40]([F:41])([F:42])[F:43])[cH:39]1)([F:44])[F:45].[F:46][c:47]1[cH:48][c:49]([O:59][CH3:60])[c:50]([B:56]([OH:57])[OH:58])[cH:51][c:52]1[CH:53]([CH3:54])[CH3:55].[OH2:79]>>[F:1][C:2]([c:3]1[cH:4][c:5]([CH2:6][N:7]([c:8]2[n:9][cH:10][c:11]([O:14][CH2:15][CH2:16][CH2:17][C:18](=[O:19])[O:20][C:21]([CH3:22])([CH3:23])[CH3:24])[cH:12][n:13]2)[CH2:25][c:26]2[c:27](-[c:50]3[c:49]([O:59][CH3:60])[cH:48][c:47]([F:46])[c:52]([CH:53]([CH3:54])[CH3:55])[cH:51]3)[cH:28][c:29]([O:34][CH3:35])[c:30]([O:32][CH3:33])[cH:31]2)[cH:37][c:38]([C:40]([F:41])([F:42])[F:43])[cH:39]1)([F:44])[F:45]