HRID2346282

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

2 次

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

HCID15908

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

C8H17N3

HCID18438648

1-(Aminomethyl)cycloheptan-1-ol

C8H17NO

HCID22267455

5-(3,5-Dioxo-4,5-dihydro-1,2,4-triazin-2(3H)-yl)-2-methylbenzoic acid

C11H9N3O4

PRODUCTS

生成物

结构：Cc1ccc(-n2ncc(=O)[nH]c2=O)cc1C(=O)NCC1(O)CCCCCC1

HCID54585435

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-29da3e13c28d4c44a5156456c0ec3dc6
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

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