HRID97449

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID8028

Tetrahydrofuran

C4H8O

HCID3280088

未命名化合物

HCID23456143

6-Chloro-5-methoxypyridin-3-amine

C6H7ClN2O

结构：COc1ccc(CN(Cc2ccc(OC)cc2)c2nc(C)nc(-c3cc(C(C)N4CCN(S(C)(=O)=O)CC4)cnc3F)n2)cc1

HCID66611478

4-[2-fluoro-5-[1-(4-methylsulfonylpiperazin-1-yl)ethyl]-3-pyridinyl]-N,N-bis[(4-methoxyphenyl)methyl]-6-methyl-1,3,5-triazin-2-amine

C32H38FN7O4S

PRODUCTS

生成物

结构：COc1ccc(CN(Cc2ccc(OC)cc2)c2nc(C)nc(-c3cc(C(C)N4CCN(S(C)(=O)=O)CC4)cnc3Nc3cnc(Cl)c(OC)c3)n2)cc1

HCID87480349

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-169affe99ba048f985bc71704ee70a3b
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

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