HRID206010

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID24730057

4-(Aminomethyl)-4-(4-fluorophenyl)cyclohexan-1-ol

C13H18FNO

结构：Cc1ccnc(Nc2ncc(Sc3ccnc(C(=O)O)c3F)s2)c1

HCID59200397

未命名化合物

PRODUCTS

生成物

结构：Cc1ccnc(Nc2ncc(Sc3ccnc(C(=O)NCC4(c5ccc(F)cc5)CCC(O)CC4)c3F)s2)c1

HCID59321437

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1efe114792ae4acb8bf041ca3a6740fe
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[F:1][c:2]1[c:3]([C:22](=[O:23])[OH:24])[n:4][cH:5][cH:6][c:7]1[S:8][c:9]1[cH:10][n:11][c:12]([NH:14][c:15]2[n:16][cH:17][cH:18][c:19]([CH3:21])[cH:20]2)[s:13]1.[NH2:25][CH2:26][C:27]1([c:34]2[cH:35][cH:36][c:37]([F:40])[cH:38][cH:39]2)[CH2:28][CH2:29][CH:30]([OH:33])[CH2:31][CH2:32]1>>[F:1][c:2]1[c:3]([C:22](=[O:24])[NH:25][CH2:26][C:27]2([c:34]3[cH:35][cH:36][c:37]([F:40])[cH:38][cH:39]3)[CH2:28][CH2:29][CH:30]([OH:33])[CH2:31][CH2:32]2)[n:4][cH:5][cH:6][c:7]1[S:8][c:9]1[cH:10][n:11][c:12]([NH:14][c:15]2[n:16][cH:17][cH:18][c:19]([CH3:21])[cH:20]2)[s:13]1