HRID316736

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID864

(+-)-Lipoic acid

C8H14O2S2

结构：Nc1ccc(N2CCN(C(=O)c3ccccc3C(F)(F)F)CC2)nn1

HCID66849536

未命名化合物

PRODUCTS

生成物

结构：O=C(CCCCC1CCSS1)Nc1ccc(N2CCN(C(=O)c3ccccc3C(F)(F)F)CC2)nn1

HCID86597210

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d92361aae8d04783942e05574d2c4766
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

[NH2:13][c:14]1[cH:15][cH:16][c:17]([N:20]2[CH2:21][CH2:22][N:23]([C:26](=[O:27])[c:28]3[c:29]([C:34]([F:35])([F:36])[F:37])[cH:30][cH:31][cH:32][cH:33]3)[CH2:24][CH2:25]2)[n:18][n:19]1.[OH:1][C:2](=[O:3])[CH2:4][CH2:5][CH2:6][CH2:7][CH:8]1[CH2:9][CH2:10][S:11][S:12]1>>[C:2](=[O:3])([CH2:4][CH2:5][CH2:6][CH2:7][CH:8]1[CH2:9][CH2:10][S:11][S:12]1)[NH:13][c:14]1[cH:15][cH:16][c:17]([N:20]2[CH2:21][CH2:22][N:23]([C:26](=[O:27])[c:28]3[c:29]([C:34]([F:35])([F:36])[F:37])[cH:30][cH:31][cH:32][cH:33]3)[CH2:24][CH2:25]2)[n:18][n:19]1