HRID1133198

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6342

Acetonitrile

C2H3N

HCID26255

Tetrafluoroborate

BF4-

HCID78288

Glycine, N-[(1,1-dimethylethoxy)carbonyl]-

C7H13NO4

HCID81531

Diisopropylethylamine

C8H19N

HCID130500

未命名化合物

HCID409810

4-Chloro-alpha-phenylbenzenemethanamine

C13H12ClN

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)NCC(=O)NC(c1ccccc1)c1ccc(Cl)cc1

HCID59689146

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1877c8bb3f5a483c89621faff0725227
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

[B-:38]([F:39])([F:40])([F:41])[F:42].[C:17]([CH3:18])([CH3:19])([CH3:20])[O:21][C:22](=[O:23])[NH:24][CH2:25][C:26](=[O:27])[OH:28].[CH3:60][C:61]#[N:62].[CH:29]([N:30]([CH2:31][CH3:32])[CH:33]([CH3:34])[CH3:35])([CH3:36])[CH3:37].[Cl:2][c:3]1[cH:4][cH:5][c:6]([CH:9]([c:10]2[cH:11][cH:12][cH:13][cH:14][cH:15]2)[NH2:16])[cH:7][cH:8]1.[ClH:1].[n:43]1([O:44][C:45]([N:46]([CH3:47])[CH3:48])=[N+:49]([CH3:50])[CH3:51])[c:52]2[cH:53][cH:54][cH:55][cH:56][c:57]2[n:58][n:59]1>>[Cl:2][c:3]1[cH:4][cH:5][c:6]([CH:9]([c:10]2[cH:11][cH:12][cH:13][cH:14][cH:15]2)[NH:16][C:26]([CH2:25][NH:24][C:22]([O:21][C:17]([CH3:18])([CH3:19])[CH3:20])=[O:23])=[O:27])[cH:7][cH:8]1