HRID311070

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6101

4-Methylbenzenesulfonic acid

C7H8O3S

2 次

HCID542420

未命名化合物

结构：CC(C)CC(C(=O)O)C(CCCc1ccccc1)C(=O)OC(C)(C)C

HCID9863149

未命名化合物

PRODUCTS

生成物

结构：CC(C)CNNC(=O)C(CC(C)C)C(CCCc1ccccc1)C(=O)OC(C)(C)C

HCID77749658

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-cce1515f46b34a14881ca097abe415fc
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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