HRID109925

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID3438

Furfurylamine

C5H7NO

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID15908

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

C8H17N3

HCID21885

2-Dimethylaminopyridine

C7H10N2

结构：CC(Nc1nccc(-n2cnc3ccccc32)n1)c1cccc(C(=O)O)c1

HCID178463419

未命名化合物

PRODUCTS

生成物

结构：CC(Nc1nccc(-n2cnc3ccccc32)n1)c1cccc(C(=O)NCc2ccco2)c1

HCID18375832

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a4bb86d1d91946cb96dfa35662887bd9
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

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