HRID662297

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID2337

Benzocaine

C9H11NO2

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID62365

Isobutyl chloroformate

C5H9ClO2

结构：O=C(O)CC1CCc2cc(Br)cc3[nH]c(=O)c(=O)n1c23

HCID10472338

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)c1ccc(NC(=O)CC2CCc3cc(Br)cc4[nH]c(=O)c(=O)n2c34)cc1

HCID54149551

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4c61e4145a224c829b137be7fe386301
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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