HRID293513

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID962

Water

H2O

HCID6344

Dichloromethane

CH2Cl2

HCID15908

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

C8H17N3

HCID70357

[1,1'-Biphenyl]-2-carboxylic acid

C13H10O2

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID16203630

tert-Butyl 4-(4-amino-2-fluorophenyl)piperazine-1-carboxylate

C15H22FN3O2

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCN(c2ccc(NC(=O)c3ccccc3-c3ccccc3)cc2F)CC1

HCID66931936

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6a11ed2c1f8f41838d52e0235ec30f32
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][N:11]([c:14]2[c:15]([F:21])[cH:16][c:17]([NH2:20])[cH:18][cH:19]2)[CH2:12][CH2:13]1.[CH3:49][N:50]([CH3:51])[CH2:52][CH2:53][CH2:54][N:55]=[C:56]=[N:57][CH2:58][CH3:59].[Cl:60][CH2:61][Cl:62].[ClH:48].[Na+:64].[OH-:63].[OH2:37].[OH:38][n:39]1[c:40]2[cH:41][cH:42][cH:43][cH:44][c:45]2[n:46][n:47]1.[c:22]1(-[c:31]2[cH:32][cH:33][cH:34][cH:35][cH:36]2)[c:23]([C:28](=[O:29])[OH:30])[cH:24][cH:25][cH:26][cH:27]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][N:11]([c:14]2[c:15]([F:21])[cH:16][c:17]([NH:20][C:28]([c:23]3[c:22](-[c:31]4[cH:32][cH:33][cH:34][cH:35][cH:36]4)[cH:27][cH:26][cH:25][cH:24]3)=[O:29])[cH:18][cH:19]2)[CH2:12][CH2:13]1