HRID100904

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID76300

Ethyl 4-bromobutyrate

C6H11BrO2

结构：CCOC(=O)CCCOc1ccc(C(=O)N2c3ccccc3C(N(C(=O)CC)c3ccc(Cl)cc3)CC2C)cc1

HCID58859724

未命名化合物

结构：CC(=O)N(c1ccc(Cl)cc1)C1CC(C)N(C(=O)c2ccc(N(C)C)cc2)c2cc(O)ccc21

HCID58860053

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)COc1ccc2c(c1)N(C(=O)c1ccc(N(C)C)cc1)C(C)CC2N(C(C)=O)c1ccc(Cl)cc1

HCID58859839

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-555e5c68e97243508497a71edfe937f3
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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