HRID1227030

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8028

Tetrahydrofuran

C4H8O

HCID8857

Ethyl acetate

C4H8O2

HCID11776

Triphenylphosphine

C18H15P

HCID220568

Diethyl azodicarboxylate

C6H10N2O4

HCID3604460

Tert-butyl 2-hydroxypropanoate

C7H14O3

结构：O=C(NCCc1cccc(O)c1)C1c2ccccc2C(=O)N(C2CCCCC2O)C1c1ccc(Cl)cc1Cl

HCID68449574

未命名化合物

PRODUCTS

生成物

结构：CC(Oc1cccc(CCNC(=O)C2c3ccccc3C(=O)N(C3CCCCC3O)C2c2ccc(Cl)cc2Cl)c1)C(=O)OC(C)(C)C

HCID178466526

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-07f0b9d13e79405ab153b143f59b9197
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[CH2:86]1[O:87][CH2:88][CH2:89][CH2:90]1.[CH3:80][CH2:81][O:82][C:83](=[O:84])[CH3:85].[Cl:1][c:2]1[c:3]([CH:9]2[N:10]([CH:32]3[CH:33]([OH:38])[CH2:34][CH2:35][CH2:36][CH2:37]3)[C:11](=[O:31])[c:12]3[cH:13][cH:14][cH:15][cH:16][c:17]3[CH:18]2[C:19](=[O:20])[NH:21][CH2:22][CH2:23][c:24]2[cH:25][c:26]([OH:30])[cH:27][cH:28][cH:29]2)[cH:4][cH:5][c:6]([Cl:8])[cH:7]1.[O:68]=[C:69]([O:70][CH2:71][CH3:72])[N:73]=[N:74][C:75]([O:76][CH2:77][CH3:78])=[O:79].[OH:58][CH:59]([C:60](=[O:61])[O:62][C:63]([CH3:64])([CH3:65])[CH3:66])[CH3:67].[c:39]1([P:40]([c:41]2[cH:42][cH:43][cH:44][cH:45][cH:46]2)[c:47]2[cH:48][cH:49][cH:50][cH:51][cH:52]2)[cH:53][cH:54][cH:55][cH:56][cH:57]1>>[Cl:1][c:2]1[c:3]([CH:9]2[N:10]([CH:32]3[CH:33]([OH:38])[CH2:34][CH2:35][CH2:36][CH2:37]3)[C:11](=[O:31])[c:12]3[cH:13][cH:14][cH:15][cH:16][c:17]3[CH:18]2[C:19](=[O:20])[NH:21][CH2:22][CH2:23][c:24]2[cH:25][c:26]([O:30][CH:59]([C:60](=[O:61])[O:62][C:63]([CH3:64])([CH3:65])[CH3:66])[CH3:67])[cH:27][cH:28][cH:29]2)[cH:4][cH:5][c:6]([Cl:8])[cH:7]1