HRID2126435

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID222

Ammonia gas

H3N

HCID313

Hydrochloric Acid

ClH

HCID962

Water

H2O

HCID1049

Pyridine

C5H5N

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

HCID15908

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

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

结构：O=C(O)C=Cc1ccc(C(=C2CCCCC2)c2ccc(O)cc2)cc1

HCID68654396

未命名化合物

PRODUCTS

生成物

结构：NC(=O)C=Cc1ccc(C(=C2CCCCC2)c2ccc(O)cc2)cc1

HCID68654571

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e8f6d8f22e9e49a89ec4c48cb49406f4
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[C:25]1(=[C:31]([c:32]2[cH:33][cH:34][c:35]([CH:38]=[CH:39][C:40](=[O:41])[OH:42])[cH:36][cH:37]2)[c:43]2[cH:44][cH:45][c:46]([OH:49])[cH:47][cH:48]2)[CH2:26][CH2:27][CH2:28][CH2:29][CH2:30]1.[CH3:2][N:3]([CH3:4])[CH2:5][CH2:6][CH2:7][N:8]=[C:9]=[N:10][CH2:11][CH3:12].[CH3:50][N:51]([CH3:52])[c:53]1[cH:54][cH:55][n:56][cH:57][cH:58]1.[ClH:1].[NH3:24].[OH2:13].[OH:14][n:15]1[c:16]2[cH:17][cH:18][cH:19][cH:20][c:21]2[n:22][n:23]1.[cH:59]1[cH:60][cH:61][n:62][cH:63][cH:64]1>>[NH2:3][C:40]([CH:39]=[CH:38][c:35]1[cH:34][cH:33][c:32]([C:31](=[C:25]2[CH2:26][CH2:27][CH2:28][CH2:29][CH2:30]2)[c:43]2[cH:44][cH:45][c:46]([OH:49])[cH:47][cH:48]2)[cH:37][cH:36]1)=[O:41]