HRID2319287

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

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(Cl)cnc3F)n2)cc1

HCID66600504

未命名化合物

PRODUCTS

生成物

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

HCID66612003

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e9c36028f6794eafb1fd57f08d075204
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[CH2:61]1[O:62][CH2:63][CH2:64][CH2:65]1.[CH3:51][Si:52]([N-:53][Si:54]([CH3:55])([CH3:56])[CH3:57])([CH3:58])[CH3:59].[Cl:1][c:2]1[cH:3][c:4](-[c:9]2[n:10][c:11]([N:16]([CH2:17][c:18]3[cH:19][cH:20][c:21]([O:24][CH3:25])[cH:22][cH:23]3)[CH2:26][c:27]3[cH:28][cH:29][c:30]([O:33][CH3:34])[cH:31][cH:32]3)[n:12][c:13]([CH3:15])[n:14]2)[c:5]([F:8])[n:6][cH:7]1.[Li+:50].[NH2:35][c:36]1[cH:37][cH:38][c:39]([NH:42][C:43]([O:44][C:45]([CH3:46])([CH3:47])[CH3:48])=[O:49])[n:40][cH:41]1.[OH2:60]>>[Cl:1][c:2]1[cH:3][c:4](-[c:9]2[n:10][c:11]([N:16]([CH2:17][c:18]3[cH:19][cH:20][c:21]([O:24][CH3:25])[cH:22][cH:23]3)[CH2:26][c:27]3[cH:28][cH:29][c:30]([O:33][CH3:34])[cH:31][cH:32]3)[n:12][c:13]([CH3:15])[n:14]2)[c:5]([NH:35][c:36]2[cH:37][cH:38][c:39]([NH:42][C:43]([O:44][C:45]([CH3:46])([CH3:47])[CH3:48])=[O:49])[n:40][cH:41]2)[n:6][cH:7]1