HRID2320285

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID19691292

tert-Butyl octahydro-5H-pyrrolo[3,4-c]pyridine-5-carboxylate

C12H22N2O2

结构：O=S(=O)(c1ccc(F)cc1)c1cnc2c(I)cccc2c1

HCID68729790

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCC2CN(c3cccc4cc(S(=O)(=O)c5ccc(F)cc5)cnc34)CC2C1

HCID25196387

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-88451c677bbe47e2ad2a345598de6fbc
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

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