HRID94113

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：Cc1ccc(S(=O)(=O)OCCCCCCCC(F)(F)C(F)(F)F)cc1

HCID15858643

未命名化合物

结构：C=CC12CCc3cc(O)ccc3C1C(CCCCCNC)CC1(C)C(O)CCC12

HCID178435220

未命名化合物

PRODUCTS

生成物

结构：C=CC12CCc3cc(O)ccc3C1C(CCCCCN(C)CCCCCCCC(F)(F)C(F)(F)F)CC1(C)C(O)CCC12

HCID178435222

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-15187ac4cf5e4509ba30d2015e994324
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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