HRID315566

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6342

Acetonitrile

C2H3N

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

HCID15908

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

C8H17N3

HCID2755929

3-{[(tert-Butoxycarbonyl)amino]methyl}benzoic acid

C13H17NO4

HCID69078154

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)NCc1cccc(C(=O)N2CCOc3nccc(-c4ccc(F)cc4)c3C2)c1

HCID67180248

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-752f9395ca32417e86b8efdd0f993484
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

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