HRID147496

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID962

Water

H2O

HCID6212

Chloroform

CHCl3

HCID6344

Dichloromethane

CH2Cl2

HCID15908

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

C8H17N3

HCID14053792

(4-Bromo-2-fluorophenyl)acetic acid

C8H6BrFO2

HCID22981090

未命名化合物

HCID178418300

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)NC(C)(C)c1cccc(NC(=O)Cc2ccc(Br)cc2F)c1

HCID68545320

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-605cbb5c608846a091772e976d81fa89
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[Br:1][c:2]1[cH:3][c:4]([F:12])[c:5]([CH2:8][C:9](=[O:10])[OH:11])[cH:6][cH:7]1.[C:36]([CH3:37])([CH3:38])([CH3:39])[O:40][C:41]([NH:42][C:43]([CH3:44])([CH3:45])[c:46]1[cH:47][c:48]([NH2:52])[cH:49][cH:50][cH:51]1)=[O:53].[CH3:25][N:26]([CH3:27])[CH2:28][CH2:29][CH2:30][N:31]=[C:32]=[N:33][CH2:34][CH3:35].[CH:54]([Cl:55])([Cl:56])[Cl:57].[Cl:58][CH2:59][Cl:60].[ClH:24].[OH2:13].[OH:14][c:15]1[c:16]2[n:17][n:18][nH:19][c:20]2[cH:21][cH:22][cH:23]1>>[Br:1][c:2]1[cH:3][c:4]([F:12])[c:5]([CH2:8][C:9](=[O:11])[NH:52][c:48]2[cH:47][c:46]([C:43]([NH:42][C:41]([O:40][C:36]([CH3:37])([CH3:38])[CH3:39])=[O:53])([CH3:44])[CH3:45])[cH:51][cH:50][cH:49]2)[cH:6][cH:7]1