HRID2151948

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID8028

Tetrahydrofuran

C4H8O

HCID79305

5-Amino-2-chloropyridine

C5H5ClN2

HCID3280088

未命名化合物

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)cnc3Nc3ccc(Cl)nc3)n2)cc1

HCID87068326

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-83eecce1d8e54a33af293366d8510e03
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

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