HRID2161220

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID102884

tert-Butyl prolinate

C9H17NO2

结构：O=C(O)CCc1cccc(-c2nc(=O)c3ccccc3s2)n1

HCID9901333

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)C1CCCN1C(=O)CCc1cccc(-c2nc(=O)c3ccccc3s2)n1

HCID22939468

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f4481e486a324c9bac8a56215bcefc35
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[C:23]([CH3:24])([CH3:25])([CH3:26])[O:27][C:28]([CH:29]1[NH:30][CH2:31][CH2:32][CH2:33]1)=[O:34].[CH3:45][N:46]([CH3:47])[CH:48]=[O:49].[O:1]=[c:2]1[n:3][c:4](-[c:12]2[cH:13][cH:14][cH:15][c:16]([CH2:18][CH2:19][C:20](=[O:21])[OH:22])[n:17]2)[s:5][c:6]2[c:7]1[cH:8][cH:9][cH:10][cH:11]2.[OH:35][n:36]1[c:37]2[c:38]([cH:39][cH:40][cH:41][cH:42]2)[n:43][n:44]1>>[O:1]=[c:2]1[n:3][c:4](-[c:12]2[cH:13][cH:14][cH:15][c:16]([CH2:18][CH2:19][C:20](=[O:21])[N:30]3[CH:29]([C:28]([O:27][C:23]([CH3:24])([CH3:25])[CH3:26])=[O:34])[CH2:33][CH2:32][CH2:31]3)[n:17]2)[s:5][c:6]2[c:7]1[cH:8][cH:9][cH:10][cH:11]2