HRID96346

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8028

Tetrahydrofuran

C4H8O

HCID11776

Triphenylphosphine

C18H15P

HCID73946

1-(4-Fluorophenyl)ethanol

C8H9FO

HCID75555

未命名化合物

结构：COC(=O)c1c(C)nc2[nH]ccc2c1-c1ccc(C)cc1

HCID71209360

未命名化合物

PRODUCTS

生成物

结构：COC(=O)c1c(C)nc2c(ccn2C(C)c2ccc(F)cc2)c1-c1ccc(C)cc1

HCID71209454

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a130655c523b4510bc33527db275aaad
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

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