HRID209874

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6101

4-Methylbenzenesulfonic acid

C7H8O3S

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID437645

Benzyl alaninate

C10H13NO2

结构：CC(NP(=O)(Cc1ccccc1)Cc1ccccc1)C(=O)N1CCCC1C(=O)O

HCID23320611

未命名化合物

PRODUCTS

生成物

结构：CC(NC(=O)C1CCCN1C(=O)C(C)NP(=O)(Cc1ccccc1)Cc1ccccc1)C(=O)OCc1ccccc1

HCID178464853

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0ab1e61a0e714cbca2bb18b3380e1371
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

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