HRID115041

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID15908

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

C8H17N3

HCID259624

3-Pyridinepropionic acid

C8H9NO2

结构：O=C(NC(CCCc1ccccc1)CCCc1ccccc1)C1CCCNC1

HCID12020263

未命名化合物

PRODUCTS

生成物

结构：O=C(NC(CCCc1ccccc1)CCCc1ccccc1)C1CCCN(C(=O)CCc2cccnc2)C1

HCID18727488

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8064ae11144643f8b58c1c0aaaee6889
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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