HRID112436

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

HCID8028

Tetrahydrofuran

C4H8O

HCID11776

Triphenylphosphine

C18H15P

HCID55298899

未命名化合物

结构：C=CC(OC(C)=O)c1[nH]c(=O)c2c(ccc3nc(Nc4ccc(F)cc4C)n(C)c32)c1C

HCID66832334

未命名化合物

PRODUCTS

生成物

结构：Cc1cc(F)ccc1Nc1nc2ccc3c(C)c(C=CCN4CCP(C)(=O)CC4)[nH]c(=O)c3c2n1C

HCID66832937

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f200802f6fae41dbbf6685074a324a68
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

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