HRID169813

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8028

Tetrahydrofuran

C4H8O

HCID13831

Tributylphosphine

C12H27P

HCID220568

Diethyl azodicarboxylate

C6H10N2O4

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

HCID11119047

未命名化合物

HCID21891949

未命名化合物

PRODUCTS

生成物

结构：CCC(O)(CC(=O)OC(C)(C)C)c1ccn(Cc2c(Cl)nc3ccccc3c2C)c(=O)c1

HCID22987172

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c0c169fa3e524639b3504f60b2199f2e
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

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