HRID117433

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6101

4-Methylbenzenesulfonic acid

C7H8O3S

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID409140

Benzyl 2-aminoacetate

C9H11NO2

结构：CC(C)C(NC(=O)c1ccc(C(=O)O)cc1)C(=O)N1CCCC1C(=O)NC(C(=O)C(F)(F)F)C(C)C

HCID85192201

未命名化合物

PRODUCTS

生成物

结构：CC(C)C(NC(=O)c1ccc(C(=O)NCC(=O)OCc2ccccc2)cc1)C(=O)N1CCCC1C(=O)NC(C(=O)C(F)(F)F)C(C)C

HCID178449321

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a6d59ae33da64ea39fa75a699f85eb37
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:24](=[O:25])([OH:26])[c:27]1[cH:28][cH:29][c:30]([C:33](=[O:34])[NH:35][CH:36]([CH:37]([CH3:38])[CH3:39])[C:40](=[O:41])[N:42]2[CH:43]([C:44](=[O:45])[NH:46][CH:47]([C:48]([C:49]([F:50])([F:51])[F:52])=[O:53])[CH:54]([CH3:55])[CH3:56])[CH2:57][CH2:58][CH2:59]2)[cH:31][cH:32]1.[CH2:12]([c:13]1[cH:14][cH:15][cH:16][cH:17][cH:18]1)[O:19][C:20]([CH2:21][NH2:22])=[O:23].[O:70]=[CH:71][N:72]([CH3:73])[CH3:74].[OH:60][n:61]1[c:62]2[c:63]([cH:64][cH:65][cH:66][cH:67]2)[n:68][n:69]1.[c:1]1([CH3:2])[cH:3][cH:4][c:5]([S:6]([OH:7])(=[O:8])=[O:9])[cH:10][cH:11]1>>[CH2:12]([c:13]1[cH:14][cH:15][cH:16][cH:17][cH:18]1)[O:19][C:20]([CH2:21][NH:22][C:24](=[O:25])[c:27]1[cH:28][cH:29][c:30]([C:33](=[O:34])[NH:35][CH:36]([CH:37]([CH3:38])[CH3:39])[C:40](=[O:41])[N:42]2[CH:43]([C:44](=[O:45])[NH:46][CH:47]([C:48]([C:49]([F:50])([F:51])[F:52])=[O:53])[CH:54]([CH3:55])[CH3:56])[CH2:57][CH2:58][CH2:59]2)[cH:31][cH:32]1)=[O:23]