HRID668447

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID3776

Isopropanol

C3H8O

HCID8471

Triethylamine

C6H15N

HCID68728527

未命名化合物

HCID178512251

未命名化合物

HCID178512407

未命名化合物

PRODUCTS

生成物

结构：Cc1c[nH]c2ncnc(N3CCN(C(=NC#N)Nc4cccc(C(F)(F)F)c4)C(C)C3)c12

HCID178430828

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8d7b41c2aae24a308c71859b1da24c9f
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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