HRID155421

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8028

Tetrahydrofuran

C4H8O

HCID28486

Lithium ion

Li+

HCID3280088

未命名化合物

HCID22064440

tert-Butyl (5-aminopyridin-2-yl)carbamate

C10H15N3O2

结构：COc1ccc(CN(Cc2ccc(OC)cc2)c2nc(C)nc(-c3cc(CN4CCN(S(C)(=O)=O)CC4)cnc3F)n2)cc1

HCID66611631

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(CN(Cc2ccc(OC)cc2)c2nc(C)nc(-c3cc(CN4CCN(S(C)(=O)=O)CC4)cnc3Nc3ccc(NC(=O)OC(C)(C)C)nc3)n2)cc1

HCID66611381

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f5c4889e3b8a4e43b597e3f4e88fd0d9
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[CH2:70]1[O:71][CH2:72][CH2:73][CH2:74]1.[CH3:2][Si:3]([N-:4][Si:5]([CH3:6])([CH3:7])[CH3:8])([CH3:9])[CH3:10].[F:11][c:12]1[n:13][cH:14][c:15]([CH2:44][N:45]2[CH2:46][CH2:47][N:48]([S:51](=[O:52])(=[O:53])[CH3:54])[CH2:49][CH2:50]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.[Li+:1].[NH2:55][c:56]1[cH:57][cH:58][c:59]([NH:62][C:63]([O:64][C:65]([CH3:66])([CH3:67])[CH3:68])=[O:69])[n:60][cH:61]1>>[c:12]1([NH:55][c:56]2[cH:57][cH:58][c:59]([NH:62][C:63]([O:64][C:65]([CH3:66])([CH3:67])[CH3:68])=[O:69])[n:60][cH:61]2)[n:13][cH:14][c:15]([CH2:44][N:45]2[CH2:46][CH2:47][N:48]([S:51](=[O:52])(=[O:53])[CH3:54])[CH2:49][CH2:50]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