HRID2125408

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6344

Dichloromethane

CH2Cl2

HCID8857

Ethyl acetate

C4H8O2

HCID15908

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

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID219302

Oxane-4-carboxylic acid

C6H10O3

HCID11587536

未命名化合物

PRODUCTS

生成物

结构：O=C(NCc1cnc(Nc2cccc(Cl)c2)nc1C(F)(F)F)C1CCOCC1

HCID58168800

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-13c8089d7b4d47a297768a4a8ddfc13a
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

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