HRID2343331

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID680951

4-acetamido-3-chlorobenzoic acid

C9H8ClNO3

结构：CC(NC(=O)c1ccc(N)c(Cl)c1)C(=O)N1CCCC1C(=O)NC1CC(=O)OC1OCCc1ccccc1

HCID22977512

未命名化合物

结构：CC(NC(=O)OC(C)(C)C)C(=O)N1CCCCC1C(=O)NC1CC(=O)OC1OCc1ccccc1

HCID22977789

未命名化合物

PRODUCTS

生成物

结构：CC(=O)Nc1ccc(C(=O)NC(C)C(=O)N2CCCCC2C(=O)NC2CC(=O)OC2OCc2ccccc2)cc1Cl

HCID86590560

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0cfca7786ab147118ec300e05b8c0d68
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

[C:1]([O:2][C:6]([NH:7][CH:8]([C:9](=[O:10])[N:11]1[CH:12]([C:17]([NH:18][CH:19]2[CH:20]([O:25][CH2:26][c:27]3[cH:28][cH:29][cH:30][cH:31][cH:32]3)[O:21][C:22](=[O:24])[CH2:23]2)=[O:33])[CH2:13][CH2:14][CH2:15][CH2:16]1)[CH3:34])=[O:35])([CH3:3])([CH3:4])[CH3:5].[C:36]([CH3:37])(=[O:38])[NH:39][c:40]1[c:41]([Cl:49])[cH:42][c:43]([C:44]([OH:45])=[O:46])[cH:47][cH:48]1.[O:50]=[C:51]1[O:52][CH:53]([O:54][CH2:55][CH2:56][c:57]2[cH:58][cH:59][cH:60][cH:61][cH:62]2)[CH:63]([NH:64][C:65]([CH:66]2[CH2:67][CH2:68][CH2:69][N:70]2[C:71](=[O:72])[CH:73]([NH:74][C:75](=[O:76])[c:77]2[cH:78][cH:79][c:80]([NH2:81])[c:82]([Cl:83])[cH:84]2)[CH3:85])=[O:86])[CH2:87]1>>[C:6]([NH:7][CH:8]([C:9](=[O:10])[N:11]1[CH:12]([C:17]([NH:18][CH:19]2[CH:20]([O:25][CH2:26][c:27]3[cH:28][cH:29][cH:30][cH:31][cH:32]3)[O:21][C:22](=[O:24])[CH2:23]2)=[O:33])[CH2:13][CH2:14][CH2:15][CH2:16]1)[CH3:34])(=[O:35])[c:43]1[cH:42][c:41]([Cl:49])[c:40]([NH:39][C:36]([CH3:37])=[O:38])[cH:48][cH:47]1