HRID2314779

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6344

Dichloromethane

CH2Cl2

HCID70509

3-Bromo-4-fluorobenzoic acid

C7H4BrFO2

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

结构：CC(CC(O)C(N)Cc1ccccc1)C(=O)NCCC(C)(C)C

HCID178450601

未命名化合物

PRODUCTS

生成物

结构：CC(CC(O)C(Cc1ccccc1)NC(=O)c1ccc(F)c(Br)c1)C(=O)NCCC(C)(C)C

HCID22253000

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ae889bee0a094e7d9432a6ea192d914c
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

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