HRID2155646

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)(c1cccc(OC(F)(F)F)c1)c1cnc2c(I)cccc2c1

HCID68729086

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCC2CN(c3cccc4cc(S(=O)(=O)c5cccc(OC(F)(F)F)c5)cnc34)CC2C1

HCID25196511

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-554643015ce64fd286023e03c2d46f21
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

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.[I:17][c:18]1[cH:19][cH:20][cH:21][c:22]2[cH:23][c:24]([S:28](=[O:29])(=[O:30])[c:31]3[cH:32][c:33]([O:37][C:38]([F:39])([F:40])[F:41])[cH:34][cH:35][cH:36]3)[cH:25][n:26][c:27]12>>[CH2:1]1[N:2]([c:18]2[cH:19][cH:20][cH:21][c:22]3[cH:23][c:24]([S:28](=[O:29])(=[O:30])[c:31]4[cH:32][c:33]([O:37][C:38]([F:39])([F:40])[F:41])[cH:34][cH:35][cH:36]4)[cH:25][n:26][c:27]23)[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