HRID1203548

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(CCCCCCNC)CC1(C)C(O)CCC12

HCID72807389

未命名化合物

PRODUCTS

生成物

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

HCID178435217

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f1babfb0232549e180ad64a871f8f15b
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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