HRID115694

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID923

Sodium ion

Na+

2 次

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID19660

Carbonate

CO3-2

2 次

HCID639726

3,4-Dichlorobenzyl bromide

C7H5BrCl2

结构：CCC(c1ccccc1)N1Cc2cc3c(cc2CC1C(=O)NC(Cc1ccc(-c2ccc(Cl)cc2)cc1)C(=O)OC)N(C)C(=O)C(c1ccc(O)cc1)O3

HCID178438940

未命名化合物

PRODUCTS

生成物

结构：CCC(c1ccccc1)N1Cc2cc3c(cc2CC1C(=O)NC(Cc1ccc(-c2ccc(Cl)cc2)cc1)C(=O)OC)N(C)C(=O)C(c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1)O3

HCID178438941

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ea11515f2bab4352bf1e80379f32276a
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

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