HRID2317144

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8028

Tetrahydrofuran

C4H8O

HCID11776

Triphenylphosphine

C18H15P

HCID97268

Di-tert-butyl azodicarboxylate

C10H18N2O4

HCID12389264

Methyl 4-hydroxy-3,5-dimethylbenzoate

C10H12O3

结构：OCC(c1c2c(nn1-c1ccc(Cl)cc1)CCC2)C1CCCCC1

HCID67387459

未命名化合物

PRODUCTS

生成物

结构：COC(=O)c1cc(C)c(OCC(c2c3c(nn2-c2ccc(Cl)cc2)CCC3)C2CCCCC2)c(C)c1

HCID53390252

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7eeb55a39e3442068f62160867e2eab9
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

[CH2:73]1[O:74][CH2:75][CH2:76][CH2:77]1.[CH3:25][O:26][C:27]([c:28]1[cH:29][c:30]([CH3:36])[c:31]([OH:35])[c:32]([CH3:34])[cH:33]1)=[O:37].[Cl:1][c:2]1[cH:3][cH:4][c:5](-[n:8]2[n:9][c:10]3[c:11]([c:12]2[CH:13]([CH2:14][OH:15])[CH:16]2[CH2:17][CH2:18][CH2:19][CH2:20][CH2:21]2)[CH2:22][CH2:23][CH2:24]3)[cH:6][cH:7]1.[N:57]([C:58]([O:59][C:60]([CH3:61])([CH3:62])[CH3:63])=[O:64])=[N:65][C:66]([O:67][C:68]([CH3:69])([CH3:70])[CH3:71])=[O:72].[c:38]1([P:39]([c:40]2[cH:41][cH:42][cH:43][cH:44][cH:45]2)[c:46]2[cH:47][cH:48][cH:49][cH:50][cH:51]2)[cH:52][cH:53][cH:54][cH:55][cH:56]1>>[Cl:1][c:2]1[cH:3][cH:4][c:5](-[n:8]2[n:9][c:10]3[c:11]([c:12]2[CH:13]([CH2:14][O:15][c:31]2[c:30]([CH3:36])[cH:29][c:28]([C:27]([O:26][CH3:25])=[O:37])[cH:33][c:32]2[CH3:34])[CH:16]2[CH2:17][CH2:18][CH2:19][CH2:20][CH2:21]2)[CH2:22][CH2:23][CH2:24]3)[cH:6][cH:7]1