HRID204545

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8028

Tetrahydrofuran

C4H8O

HCID13831

Tributylphosphine

C12H27P

HCID220568

Diethyl azodicarboxylate

C6H10N2O4

HCID11047852

未命名化合物

结构：CCC(O)(CC(=O)OC(C)(C)C)c1cc[nH]c(=O)c1

HCID11119047

未命名化合物

PRODUCTS

生成物

结构：CCC(O)(CC(=O)OC(C)(C)C)c1ccn(Cc2cc3cc(OCc4ccccc4)c(F)cc3nc2I)c(=O)c1

HCID10908472

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b1a076a2adb44bdc824211ba1a78ffd3
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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