HRID1547172

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6422

未命名化合物

HCID8471

Triethylamine

C6H15N

HCID4327891

Pentafluorophenyl trifluoroacetate

C8F8O2

HCID9837575

1-Benzyloxycarbonylazetidine-2-carboxylic acid

C12H13NO4

HCID59228792

未命名化合物

PRODUCTS

生成物

结构：O=C(NC1CC1)c1ccc(-c2csc(NC(=O)C3CCN3C(=O)OCc3ccccc3)n2)cc1

HCID76582851

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-484f233f2cb840cb9c6fae6d5b90dd08
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

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