HRID693276

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：CCC(=O)N(c1ccc(Cl)cc1)C1CC(C)N(C(=O)c2ccc(F)cc2)c2ccc(OCC(=O)O)cc21

HCID58859737

未命名化合物

结构：CCOC(=O)C(C)(C)Oc1ccc2c(c1)C(N(C(=O)CC)c1ccc(Cl)cc1)CC(C)N2C(=O)c1ccc(F)cc1

HCID58859810

未命名化合物

PRODUCTS

生成物

结构：CCC(=O)N(c1ccc(Cl)cc1)C1CC(C)N(C(=O)c2ccc(F)cc2)c2ccc(OC(C)(C)C(=O)O)cc21

HCID58859823

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-63266f8fd21c4f64b33e850938464280
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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