HRID125813

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6101

4-Methylbenzenesulfonic acid

C7H8O3S

HCID9886

Hexafluorophosphate ion

F6P-

HCID130500

未命名化合物

HCID268471

未命名化合物

HCID17794678

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)Cn1cc2c(n1)CCN(C(=O)C(C)NC(=O)OC(C)(C)C)C2

HCID178472593

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c05d946fb68f4f888970e44889c351dc
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:27]([CH3:28])([CH3:29])([CH3:30])[O:31][C:32](=[O:33])[NH:34][CH:35]([CH3:36])[C:37](=[O:38])[OH:39].[CH3:16][c:17]1[cH:18][cH:19][c:20]([S:21]([OH:22])(=[O:23])=[O:24])[cH:25][cH:26]1.[P-:40]([F:41])([F:42])([F:43])([F:44])([F:45])[F:46].[n:1]1[n:2]([CH2:10][C:11](=[O:12])[O:13][CH2:14][CH3:15])[cH:3][c:4]2[c:9]1[CH2:8][CH2:7][NH:6][CH2:5]2.[n:47]1([O:48][C:49]([N:50]([CH3:51])[CH3:52])=[N+:53]([CH3:54])[CH3:55])[c:56]2[cH:57][cH:58][cH:59][cH:60][c:61]2[n:62][n:63]1>>[n:1]1[n:2]([CH2:10][C:11](=[O:12])[O:13][CH2:14][CH3:15])[cH:3][c:4]2[c:9]1[CH2:8][CH2:7][N:6]([C:37]([CH:35]([NH:34][C:32]([O:31][C:27]([CH3:28])([CH3:29])[CH3:30])=[O:33])[CH3:36])=[O:38])[CH2:5]2