HRID105481

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8739

Carzenide

C7H7NO4S

HCID81531

Diisopropylethylamine

C8H19N

结构：CC(C)(C)OC(=O)N1CCC(NC(=O)OCc2ccccc2)C(N)C1

HCID22143118

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCC(NC(=O)OCc2ccccc2)C(NC(=O)c2ccc(S(N)(=O)=O)cc2)C1

HCID178452131

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8a1c58a38404498aabd0ae9eb58b5bd7
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:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH:10]([NH2:25])[CH:11]([NH:14][C:15](=[O:16])[O:17][CH2:18][c:19]2[cH:20][cH:21][cH:22][cH:23][cH:24]2)[CH2:12][CH2:13]1.[CH:26]([N:27]([CH2:28][CH3:29])[CH:30]([CH3:31])[CH3:32])([CH3:33])[CH3:34].[NH2:35][S:36](=[O:37])(=[O:38])[c:39]1[cH:40][cH:41][c:42]([C:43](=[O:44])[OH:45])[cH:46][cH:47]1.[O:48]=[CH:49][N:50]([CH3:51])[CH3:52]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH:10]([NH:25][C:43]([c:42]2[cH:41][cH:40][c:39]([S:36]([NH2:35])(=[O:37])=[O:38])[cH:47][cH:46]2)=[O:44])[CH:11]([NH:14][C:15](=[O:16])[O:17][CH2:18][c:19]2[cH:20][cH:21][cH:22][cH:23][cH:24]2)[CH2:12][CH2:13]1