HRID306968

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID3776

Isopropanol

C3H8O

HCID6228

N,N-Dimethylformamide

C3H7NO

结构：Cc1c(I)cc(C(=O)NCCCN(C)C)c(=O)n1-c1cccc(C(F)(F)F)c1

HCID58218051

未命名化合物

结构：CC1(C)OB(c2ccnn2-c2ccc(C#N)cc2)OC1(C)C

HCID58432785

4-[5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazol-1-yl]benzonitrile

C16H18BN3O2

PRODUCTS

生成物

结构：Cc1c(-c2ccnn2-c2ccc(C#N)cc2)cc(C(=O)NCCCN(C)C)c(=O)n1-c1cccc(C(F)(F)F)c1

HCID58218047

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-775a0926d38e4e82bae386295f0fb251
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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