HRID286677

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID2774089

2,2-Difluoroethyl triflate

C3H3F5O3S

结构：CC(C)N1CCC(Oc2ccc3[nH]c(C(=O)N4CCN(C(=O)OC(C)(C)C)CC4)cc3c2)CC1

HCID68563698

未命名化合物

PRODUCTS

生成物

结构：CC(C)N1CCC(Oc2ccc3c(c2)cc(C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)n3CC(F)F)CC1

HCID68568640

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4200e37ac46244c38d19f457c4002ec6
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])[N:8]1[CH2:9][CH2:10][N:11]([C:14](=[O:15])[c:16]2[nH:17][c:18]3[cH:19][cH:20][c:21]([O:25][CH:26]4[CH2:27][CH2:28][N:29]([CH:32]([CH3:33])[CH3:34])[CH2:30][CH2:31]4)[cH:22][c:23]3[cH:24]2)[CH2:12][CH2:13]1.[F:35][C:36]([F:37])([F:38])[S:39]([O:40][CH2:41][CH:42]([F:43])[F:44])(=[O:45])=[O:46]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][N:11]([C:14](=[O:15])[c:16]2[n:17]([CH2:41][CH:42]([F:43])[F:44])[c:18]3[cH:19][cH:20][c:21]([O:25][CH:26]4[CH2:27][CH2:28][N:29]([CH:32]([CH3:33])[CH3:34])[CH2:30][CH2:31]4)[cH:22][c:23]3[cH:24]2)[CH2:12][CH2:13]1