HRID2318667

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID8028

Tetrahydrofuran

C4H8O

HCID9732

4-Fluorophenol

C6H5FO

HCID11776

Triphenylphosphine

C18H15P

HCID220568

Diethyl azodicarboxylate

C6H10N2O4

结构：CC(C)(C)OC(=O)N1CC(O)CC1C(=O)N1CCCN(C2CCC2)CC1

HCID75077680

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CC(Oc2ccc(F)cc2)CC1C(=O)N1CCCN(C2CCC2)CC1

HCID75077752

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7fc5c505ddeb4d8a9574603f380ca3bb
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH:9]([C:14](=[O:15])[N:16]2[CH2:17][CH2:18][N:19]([CH:23]3[CH2:24][CH2:25][CH2:26]3)[CH2:20][CH2:21][CH2:22]2)[CH2:10][CH:11]([OH:13])[CH2:12]1.[CH2:66]1[O:67][CH2:68][CH2:69][CH2:70]1.[F:27][c:28]1[cH:29][cH:30][c:31]([OH:34])[cH:32][cH:33]1.[Na+:72].[O:54]=[C:55]([O:56][CH2:57][CH3:58])[N:59]=[N:60][C:61]([O:62][CH2:63][CH3:64])=[O:65].[OH-:71].[c:35]1([P:36]([c:37]2[cH:38][cH:39][cH:40][cH:41][cH:42]2)[c:43]2[cH:44][cH:45][cH:46][cH:47][cH:48]2)[cH:49][cH:50][cH:51][cH:52][cH:53]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH:9]([C:14](=[O:15])[N:16]2[CH2:17][CH2:18][N:19]([CH:23]3[CH2:24][CH2:25][CH2:26]3)[CH2:20][CH2:21][CH2:22]2)[CH2:10][CH:11]([O:13][c:31]2[cH:30][cH:29][c:28]([F:27])[cH:33][cH:32]2)[CH2:12]1