HRID96632

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6422

未命名化合物

结构：COc1ccc(CN(Cc2ccc(OC)cc2)c2nc(C)nc(-c3cc(C(C)c4ccc(S(C)(=O)=O)cc4)cnc3Nc3ccc(OC)nc3)n2)cc1

HCID66611946

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(Nc2ncc(C(C)c3ccc(S(C)(=O)=O)cc3)cc2-c2nc(C)nc(N)n2)cn1

HCID59548228

1,3,5-Triazin-2-amine, 4-[2-[(6-methoxy-3-pyridinyl)amino]-5-[1-[4-(methylsulfonyl)phenyl]ethyl]-3-pyridinyl]-6-methyl-

C24H25N7O3S

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-25d82fcc2bd440ba9d9bae2f2dc18521
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

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