HRID1116976

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1140

Toluene

C7H8

HCID11776

Triphenylphosphine

C18H15P

HCID220568

Diethyl azodicarboxylate

C6H10N2O4

HCID6857809

2-Tert-butoxycarbonylamino-4-hydroxy-butyric acid methyl ester

C10H19NO5

结构：CC(=O)N(c1ccc(Cl)cc1)C1CC(C)N(C(=O)c2ccc(O)cc2)c2ccccc21

HCID21092910

未命名化合物

PRODUCTS

生成物

结构：COC(=O)C(CCOc1ccc(C(=O)N2c3ccccc3C(N(C(C)=O)c3ccc(Cl)cc3)CC2C)cc1)NC(=O)OC(C)(C)C

HCID178500542

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b9b68729c38640229eaad1af950442f1
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[CH3:1][O:2][C:3]([CH:4]([CH2:5][CH2:6][OH:7])[NH:8][C:9](=[O:10])[O:11][C:12]([CH3:13])([CH3:14])[CH3:15])=[O:16].[CH3:79][c:80]1[cH:81][cH:82][cH:83][cH:84][cH:85]1.[Cl:36][c:37]1[cH:38][cH:39][c:40]([N:43]([C:44]([CH3:45])=[O:46])[CH:47]2[CH2:48][CH:49]([CH3:66])[N:50]([C:57]([c:58]3[cH:59][cH:60][c:61]([OH:64])[cH:62][cH:63]3)=[O:65])[c:51]3[cH:52][cH:53][cH:54][cH:55][c:56]32)[cH:41][cH:42]1.[O:67]=[C:68]([O:69][CH2:70][CH3:71])[N:72]=[N:73][C:74]([O:75][CH2:76][CH3:77])=[O:78].[c:17]1([P:18]([c:19]2[cH:20][cH:21][cH:22][cH:23][cH:24]2)[c:25]2[cH:26][cH:27][cH:28][cH:29][cH:30]2)[cH:31][cH:32][cH:33][cH:34][cH:35]1>>[CH3:1][O:2][C:3]([CH:4]([CH2:5][CH2:6][O:7][c:61]1[cH:60][cH:59][c:58]([C:57]([N:50]2[CH:49]([CH3:66])[CH2:48][CH:47]([N:43]([c:40]3[cH:39][cH:38][c:37]([Cl:36])[cH:42][cH:41]3)[C:44]([CH3:45])=[O:46])[c:56]3[c:51]2[cH:52][cH:53][cH:54][cH:55]3)=[O:65])[cH:63][cH:62]1)[NH:8][C:9](=[O:10])[O:11][C:12]([CH3:13])([CH3:14])[CH3:15])=[O:16]