HRID1122494

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID53996144

未命名化合物

结构：O=C1NCCC12CCN(S(=O)(=O)c1ccccc1C(F)(F)F)CC2

HCID59577926

未命名化合物

结构：O=C1N(c2ccc(C(O)C(F)(F)F)cc2)CCC12CCN(S(=O)(=O)c1ccccc1C(F)(F)F)CC2

HCID59577944

未命名化合物

PRODUCTS

生成物

结构：CC(C)(O)c1ccc(N2CCC3(CCN(S(=O)(=O)c4ccccc4C(F)(F)F)CC3)C2=O)cc1

HCID59577891

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-bcf650a0682a4c478f7a3a9bf1fe32ac
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[F:1][C:2]([c:3]1[c:4]([S:9](=[O:10])(=[O:11])[N:12]2[CH2:13][CH2:14][C:15]3([CH2:16][CH2:17][NH:18][C:19]3=[O:20])[CH2:21][CH2:22]2)[cH:5][cH:6][cH:7][cH:8]1)([F:23])[F:24].[F:25][C:26]([F:27])([F:28])[CH:29]([c:30]1[cH:31][cH:32][c:33]([N:34]2[CH2:35][CH2:36][C:37]3([CH2:38][CH2:39][N:40]([S:41]([c:42]4[cH:43][cH:44][cH:45][cH:46][c:47]4[C:48]([F:49])([F:50])[F:51])(=[O:52])=[O:53])[CH2:54][CH2:55]3)[C:56]2=[O:57])[cH:58][cH:59]1)[OH:60].[I:61][c:62]1[cH:63][cH:64][c:65]([C:68]([CH3:69])([CH3:70])[OH:71])[cH:66][cH:67]1>>[F:1][C:2]([c:3]1[c:4]([S:9](=[O:10])(=[O:11])[N:12]2[CH2:13][CH2:14][C:15]3([CH2:16][CH2:17][N:18]([c:62]4[cH:63][cH:64][c:65]([C:68]([CH3:69])([CH3:70])[OH:71])[cH:66][cH:67]4)[C:19]3=[O:20])[CH2:21][CH2:22]2)[cH:5][cH:6][cH:7][cH:8]1)([F:23])[F:24]