HRID682879

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

2 次

HCID6344

Dichloromethane

CH2Cl2

2 次

HCID8857

Ethyl acetate

C4H8O2

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID14775459

tert-Butyl [4-(2-aminoethyl)phenyl]acetate

C14H21NO2

结构：COc1ccc(CN2C(=O)CN(c3ccc(CC(NC(=O)C(Cc4ccccc4)NC(C)=O)C(=O)O)cc3)S2(=O)=O)cc1

HCID67139908

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(CN2C(=O)CN(c3ccc(CC(NC(=O)C(Cc4ccccc4)NC(C)=O)C(=O)NCCc4ccc(CC(=O)OC(C)(C)C)cc4)cc3)S2(=O)=O)cc1

HCID67140039

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-db3aecd41e7c47759c2efbdc9bfcc451
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[C:1]([CH3:2])(=[O:3])[NH:4][CH:5]([C:6](=[O:7])[NH:8][CH:9]([C:10](=[O:11])[OH:12])[CH2:13][c:14]1[cH:15][cH:16][c:17]([N:20]2[S:21](=[O:35])(=[O:36])[N:22]([CH2:26][c:27]3[cH:28][cH:29][c:30]([O:33][CH3:34])[cH:31][cH:32]3)[C:23](=[O:25])[CH2:24]2)[cH:18][cH:19]1)[CH2:37][c:38]1[cH:39][cH:40][cH:41][cH:42][cH:43]1.[C:44]([CH3:45])([CH3:46])([CH3:47])[O:48][C:49]([CH2:50][c:51]1[cH:52][cH:53][c:54]([CH2:57][CH2:58][NH2:59])[cH:55][cH:56]1)=[O:60].[CH3:71][CH2:72][O:73][C:74]([CH3:75])=[O:76].[Cl:82][CH2:83][Cl:84].[Cl:90][CH2:91][Cl:92].[O:77]=[CH:78][N:79]([CH3:80])[CH3:81].[O:85]=[CH:86][N:87]([CH3:88])[CH3:89].[OH:61][n:62]1[c:63]2[c:64]([cH:65][cH:66][cH:67][cH:68]2)[n:69][n:70]1>>[C:1]([CH3:2])(=[O:3])[NH:4][CH:5]([C:6](=[O:7])[NH:8][CH:9]([C:10](=[O:11])[NH:59][CH2:58][CH2:57][c:54]1[cH:53][cH:52][c:51]([CH2:50][C:49]([O:48][C:44]([CH3:45])([CH3:46])[CH3:47])=[O:60])[cH:56][cH:55]1)[CH2:13][c:14]1[cH:15][cH:16][c:17]([N:20]2[S:21](=[O:35])(=[O:36])[N:22]([CH2:26][c:27]3[cH:28][cH:29][c:30]([O:33][CH3:34])[cH:31][cH:32]3)[C:23](=[O:25])[CH2:24]2)[cH:18][cH:19]1)[CH2:37][c:38]1[cH:39][cH:40][cH:41][cH:42][cH:43]1