HRID310747

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID702

Ethanol

C2H6O

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID7972

4-Methylmorpholine

C5H11NO

HCID10868

Dicyclohexylcarbodiimide

C13H22N2

HCID16259

3-Phenylpropylamine

C9H13N

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID67386132

未命名化合物

PRODUCTS

生成物

结构：CN(C)C1(c2ccccc2)CCC(CC(=O)NCCCc2ccccc2)CC1

HCID11517238

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c58e414ec655485fbbaea3ff118aee9b
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

[CH3:21][N:22]1[CH2:23][CH2:24][O:25][CH2:26][CH2:27]1.[CH3:29][N:30]([C:31]1([c:41]2[cH:42][cH:43][cH:44][cH:45][cH:46]2)[CH2:32][CH2:33][CH:34]([CH2:37][C:38](=[O:39])[OH:40])[CH2:35][CH2:36]1)[CH3:47].[CH3:65][N:66]([CH3:67])[CH:68]=[O:69].[CH3:71][CH2:72][OH:73].[CH:48]1([N:49]=[C:50]=[N:51][CH:52]2[CH2:53][CH2:54][CH2:55][CH2:56][CH2:57]2)[CH2:58][CH2:59][CH2:60][CH2:61][CH2:62]1.[ClH:28].[Na+:64].[OH-:63].[OH2:70].[OH:1][n:2]1[c:3]2[cH:4][cH:5][cH:6][cH:7][c:8]2[n:9][n:10]1.[c:11]1([CH2:17][CH2:18][CH2:19][NH2:20])[cH:12][cH:13][cH:14][cH:15][cH:16]1>>[c:11]1([CH2:17][CH2:18][CH2:19][NH:20][C:38]([CH2:37][CH:34]2[CH2:33][CH2:32][C:31]([N:30]([CH3:29])[CH3:47])([c:41]3[cH:42][cH:43][cH:44][cH:45][cH:46]3)[CH2:36][CH2:35]2)=[O:39])[cH:12][cH:13][cH:14][cH:15][cH:16]1