HRID944994

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6342

Acetonitrile

C2H3N

HCID8471

Triethylamine

C6H15N

HCID9971

Benzoic acid, 4-amino-3-fluoro-

C7H6FNO2

HCID15908

1-Ethyl-3-(3'-dimethylaminopropyl)carbodiimide

C8H17N3

HCID66877987

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)NC(=O)c1cccc(CN2CCN(C(=O)c3ccc(N)c(F)c3)CC2)c1

HCID66878528

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-18f5463a05a749b097dc296dc574b2bc
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

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