HRID151993

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

2 次

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID8471

Triethylamine

C6H15N

HCID15908

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

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID18426144

未命名化合物

HCID18426155

2-Amino-N-[[1-[(4-chlorophenyl)methyl]-4-piperidinyl]methyl]acetamide

C15H22ClN3O

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)Nc1cc(F)c(F)cc1C(=O)NCC(=O)NCC1CCN(Cc2ccc(Cl)cc2)CC1

HCID18426199

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c167adc0265543bab926cbdc7e32e98d
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

[C:30]([CH3:31])([CH3:32])([CH3:33])[O:34][C:35](=[O:36])[NH:37][c:38]1[c:39]([C:40](=[O:41])[OH:42])[cH:43][c:44]([F:48])[c:45]([F:47])[cH:46]1.[CH3:23][CH2:24][N:25]([CH2:26][CH3:27])[CH2:28][CH3:29].[CH3:49][CH2:50][N:51]=[C:52]=[N:53][CH2:54][CH2:55][CH2:56][N:57]([CH3:58])[CH3:59].[Cl:3][c:4]1[cH:5][cH:6][c:7]([CH2:8][N:9]2[CH2:10][CH2:11][CH:12]([CH2:15][NH:16][C:17]([CH2:18][NH2:19])=[O:20])[CH2:13][CH2:14]2)[cH:21][cH:22]1.[ClH:1].[ClH:2].[Na+:71].[OH-:70].[OH:60][n:61]1[c:62]2[c:63]([cH:64][cH:65][cH:66][cH:67]2)[n:68][n:69]1>>[Cl:3][c:4]1[cH:5][cH:6][c:7]([CH2:8][N:9]2[CH2:10][CH2:11][CH:12]([CH2:15][NH:16][C:17]([CH2:18][NH:19][C:40]([c:39]3[c:38]([NH:37][C:35]([O:34][C:30]([CH3:31])([CH3:32])[CH3:33])=[O:36])[cH:46][c:45]([F:47])[c:44]([F:48])[cH:43]3)=[O:41])=[O:20])[CH2:13][CH2:14]2)[cH:21][cH:22]1