HRID956340

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11

1,2-Dichloroethane

C2H4Cl2

HCID887

Methanol

CH4O

HCID6342

Acetonitrile

C2H3N

HCID81531

Diisopropylethylamine

C8H19N

HCID2762876

5-fluoropyridine-2-carboxylic Acid

C6H4FNO2

结构：Cc1c(N)cccc1-c1ccc(C(N)=O)c2[nH]c3cc(C(=O)N4CCN(C)CC4)ccc3c12

HCID46833813

未命名化合物

PRODUCTS

生成物

结构：Cc1c(NC(=O)c2ccc(F)cn2)cccc1-c1ccc(C(N)=O)c2[nH]c3cc(C(=O)N4CCN(C)CC4)ccc3c12

HCID59375017

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-14c7d2cecc5e42b9b115f3f56db712ed
来源数据集: Validation data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Validation data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

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