HRID167184

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

2 次

HCID962

Water

H2O

HCID6344

Dichloromethane

CH2Cl2

HCID8028

Tetrahydrofuran

C4H8O

HCID19660

Carbonate

CO3-2

HCID2734215

2-(Di-tert-butylphosphino)biphenyl

C20H27P

HCID44754822

(5-Chloro-2-fluoropyridin-4-yl)boronic acid

C5H4BClFNO2

结构：O=C1NCCN1CCNc1ncc(Cl)c(-c2cc3cccc(Br)c3s2)n1

HCID66673975

未命名化合物

PRODUCTS

生成物

结构：O=C1NCCN1CCNc1ncc(Cl)c(-c2cc3cccc(-c4cc(F)ncc4Cl)c3s2)n1

HCID24822877

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5a21c90d6aef4afd93ee478a79944054
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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