HRID1213118

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6101

4-Methylbenzenesulfonic acid

C7H8O3S

反应SMILES：COc1cc(N2CCC(N3CCN(S(C)(=O)=O)CC3)CC2)ccc1N

HCID57416151

4-{4-[4-(Methanesulfonyl)piperazin-1-yl]piperidin-1-yl}-2-methoxyaniline

C17H28N4O3S

反应SMILES：CCOc1ccc(-c2nc3ccccn3c2-c2ccnc(Cl)n2)cc1C(=O)Nc1c(F)cccc1F

HCID59452941

未命名化合物

PRODUCTS

产物

反应SMILES：CCOc1ccc(-c2nc3ccccn3c2-c2ccnc(Nc3ccc(N4CCC(N5CCN(S(C)(=O)=O)CC5)CC4)cc3OC)n2)cc1C(=O)Nc1c(F)cccc1F

HCID59452792

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-3b673a5888f7433d845e1534989bfdfc
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

[CH3:37][O:38][c:39]1[c:40]([NH2:41])[cH:42][cH:43][c:44]([N:46]2[CH2:47][CH2:48][CH:49]([N:52]3[CH2:53][CH2:54][N:55]([S:58](=[O:59])(=[O:60])[CH3:61])[CH2:56][CH2:57]3)[CH2:50][CH2:51]2)[cH:45]1.[Cl:1][c:2]1[n:3][cH:4][cH:5][c:6](-[c:8]2[c:9](-[c:17]3[cH:18][cH:19][c:20]([O:34][CH2:35][CH3:36])[c:21]([C:22](=[O:23])[NH:24][c:25]4[c:26]([F:32])[cH:27][cH:28][cH:29][c:30]4[F:31])[cH:33]3)[n:10][c:11]3[n:12]2[cH:13][cH:14][cH:15][cH:16]3)[n:7]1.[c:62]1([CH3:63])[cH:64][cH:65][c:66]([S:67]([OH:68])(=[O:69])=[O:70])[cH:71][cH:72]1>>[c:2]1([NH:41][c:40]2[c:39]([O:38][CH3:37])[cH:45][c:44]([N:46]3[CH2:47][CH2:48][CH:49]([N:52]4[CH2:53][CH2:54][N:55]([S:58](=[O:59])(=[O:60])[CH3:61])[CH2:56][CH2:57]4)[CH2:50][CH2:51]3)[cH:43][cH:42]2)[n:3][cH:4][cH:5][c:6](-[c:8]2[c:9](-[c:17]3[cH:18][cH:19][c:20]([O:34][CH2:35][CH3:36])[c:21]([C:22](=[O:23])[NH:24][c:25]4[c:26]([F:32])[cH:27][cH:28][cH:29][c:30]4[F:31])[cH:33]3)[n:10][c:11]3[n:12]2[cH:13][cH:14][cH:15][cH:16]3)[n:7]1