HRID2338741

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

HCID12301

Ethoxyacetic acid

C4H8O3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

结构：Cc1ccccc1CNC(=O)C1N(C(=O)C(O)C(Cc2ccccc2)NC(=O)C(N)C(C)C)CSC1(C)C

HCID178424269

未命名化合物

PRODUCTS

生成物

结构：CCOCC(=O)NC(C(=O)NC(Cc1ccccc1)C(O)C(=O)N1CSC(C)(C)C1C(=O)NCc1ccccc1C)C(C)C

HCID178468082

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-13b6c11d11cd4366b4f78ec96fb2a77e
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

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