HRID1113624

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID700580

Methyl (4-bromophenoxy)acetate

C9H9BrO3

反应SMILES：COc1ccc(C(=O)N2c3ccccc3C(N(C(C)=O)c3ccc(OCC(=O)O)cc3)CC2C)cc1

HCID21092876

未命名化合物

反应SMILES：COC(=O)C(C)(C)c1ccc(N(C(C)=O)C2CC(C)N(C(=O)c3ccc(OC)cc3)c3ccccc32)cc1

HCID68925668

未命名化合物

PRODUCTS

产物

反应SMILES：COc1ccc(C(=O)N2c3ccccc3C(N(C(C)=O)c3ccc(C(C)(C)C(=O)O)cc3)CC2C)cc1

HCID21092857

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-e2d399f9dfeb41d2bf9b5d8190b18e78
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

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