HRID197135

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

HCID1001

Phenethylamine

C8H11N

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID7972

4-Methylmorpholine

C5H11NO

HCID10868

Dicyclohexylcarbodiimide

C13H22N2

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID57438287

未命名化合物

PRODUCTS

生成物

结构：CN(C)C1(c2ccccc2)CCC(=CC(=O)NCCc2ccccc2)CC1

HCID11661272

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-cac8df0384d14fbfa0d6b82b6d161303
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[CH3:20][N:21]1[CH2:22][CH2:23][O:24][CH2:25][CH2:26]1.[CH3:28][N:29]([C:30]1([c:40]2[cH:41][cH:42][cH:43][cH:44][cH:45]2)[CH2:31][CH2:32][C:33](=[CH:36][C:37](=[O:38])[OH:39])[CH2:34][CH2:35]1)[CH3:46].[CH3:64][N:65]([CH3:66])[CH:67]=[O:68].[CH:47]1([N:48]=[C:49]=[N:50][CH:51]2[CH2:52][CH2:53][CH2:54][CH2:55][CH2:56]2)[CH2:57][CH2:58][CH2:59][CH2:60][CH2:61]1.[ClH:27].[NH2:11][CH2:12][CH2:13][c:14]1[cH:15][cH:16][cH:17][cH:18][cH:19]1.[Na+:63].[OH-:62].[OH2:69].[OH:1][n:2]1[c:3]2[cH:4][cH:5][cH:6][cH:7][c:8]2[n:9][n:10]1>>[NH:11]([CH2:12][CH2:13][c:14]1[cH:15][cH:16][cH:17][cH:18][cH:19]1)[C:37]([CH:36]=[C:33]1[CH2:32][CH2:31][C:30]([N:29]([CH3:28])[CH3:46])([c:40]2[cH:41][cH:42][cH:43][cH:44][cH:45]2)[CH2:35][CH2:34]1)=[O:39]