HRID663550

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8028

Tetrahydrofuran

C4H8O

HCID11776

Triphenylphosphine

C18H15P

HCID74116

Trimethylene glycol monomethyl ether

C4H10O2

HCID75555

未命名化合物

结构：O=C(Nc1nonc1-c1noc(=O)n1-c1ccc(F)c(Br)c1)C(F)(F)F

HCID58755133

未命名化合物

PRODUCTS

生成物

结构：COCCCNc1nonc1-c1noc(=O)n1-c1ccc(F)c(Br)c1

HCID66605393

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-41c8d74a2f24456bbbc2999ccf31a7cb
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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