HRID1135617

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID7972

4-Methylmorpholine

C5H11NO

HCID62365

Isobutyl chloroformate

C5H9ClO2

HCID95102

1,1-Dimethylethanolamine

C4H11NO

结构：Cc1cc(OCc2ccc(F)cc2F)c(Br)c(=O)n1Cc1cnc(C(=O)O)cn1

HCID22050084

未命名化合物

PRODUCTS

生成物

结构：Cc1cc(OCc2ccc(F)cc2F)c(Br)c(=O)n1Cc1cnc(C(=O)NCC(C)(C)O)cn1

HCID22050063

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2c2ec2cce4814ee785ec12fd904bd740
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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