HRID179897

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

HCID6344

Dichloromethane

CH2Cl2

HCID8857

Ethyl acetate

C4H8O2

HCID2734060

未命名化合物

结构：Cc1cc(O)cc(C)c1CC(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O

HCID53427534

未命名化合物

HCID67074995

未命名化合物

PRODUCTS

生成物

结构：CCOC(OCC)C(C)N(Cc1cccc2cccnc12)C(=O)C(Cc1c(C)cc(O)cc1C)NC(=O)OCC1c2ccccc2-c2ccccc21

HCID178471478

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f1dd1c51cd4444418fb9f86f77cbb504
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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