HRID107497

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID25188

2-Propenoic acid, ion(1-)

C3H3O2-

HCID3017761

tert-Butyl hydrogen (2-sulfanylethyl)carbonimidate

C7H15NO2S

结构：COC(=O)C(=Cc1cccc2ccccc12)NC(=O)OCc1ccccc1

HCID178499708

未命名化合物

PRODUCTS

生成物

结构：COC(=O)C(NC(=O)OCc1ccccc1)C(SCCNC(=O)OC(C)(C)C)c1cccc2ccccc12

HCID68607665

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7438937a951a47c1a6018ffe83aedc56
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

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