HRID185382

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID244

Benzyl alcohol

C7H8O

HCID6386

tert-Butyl alcohol

C4H10O

HCID7738

(4-Methoxyphenyl)methanol

C8H10O2

HCID8259

2,2,2-Trichloroethanol

C2H3Cl3O

结构：COC(=O)C1C(NC(=O)OCc2ccccc2)C(=O)N1Cc1ccc(OC)cc1OC

HCID13470810

未命名化合物

结构：COC(=O)C1C(NC(=O)OCc2ccc(OC)cc2)C(=O)N1Cc1ccc(OC)cc1OC

HCID23470086

未命名化合物

PRODUCTS

生成物

结构：COC(=O)C1C(NC(=O)OCC(Cl)(Cl)Cl)C(=O)N1Cc1ccc(OC)cc1OC

HCID14230565

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-fa8752d472ff408a83542aee31b072e4
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[C:89]([OH:90])([CH3:91])([CH3:92])[CH3:93].[CH2:58]([O:59][C:60]([NH:61][CH:62]1[C:63](=[O:64])[N:65]([CH2:66][c:67]2[cH:68][cH:69][c:70]([O:71][CH3:72])[cH:73][c:74]2[O:75][CH3:76])[CH:77]1[C:78]([O:79][CH3:80])=[O:81])=[O:82])[c:83]1[cH:84][cH:85][cH:86][cH:87][cH:88]1.[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([CH2:7][OH:8])[cH:9][cH:10]1.[CH3:25][O:26][c:27]1[cH:28][cH:29][c:30]([CH2:31][O:32][C:33](=[O:34])[NH:35][CH:36]2[CH:37]([C:52](=[O:53])[O:54][CH3:55])[N:38]([CH2:41][c:42]3[c:43]([O:50][CH3:51])[cH:44][c:45]([O:48][CH3:49])[cH:46][cH:47]3)[C:39]2=[O:40])[cH:56][cH:57]1.[OH:11][CH2:12][c:13]1[cH:14][cH:15][cH:16][cH:17][cH:18]1.[OH:19][CH2:20][C:21]([Cl:22])([Cl:23])[Cl:24]>>[O:19]([CH2:20][C:21]([Cl:22])([Cl:23])[Cl:24])[C:33](=[O:32])[NH:35][CH:36]1[CH:37]([C:52](=[O:53])[O:54][CH3:55])[N:38]([CH2:41][c:42]2[c:43]([O:50][CH3:51])[cH:44][c:45]([O:48][CH3:49])[cH:46][cH:47]2)[C:39]1=[O:40]