HRID1553601

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID311

Citric acid

C6H8O7

HCID313

Hydrochloric Acid

ClH

HCID7096

Phenylpiperazine

C10H14N2

HCID8028

Tetrahydrofuran

C4H8O

HCID8471

Triethylamine

C6H15N

HCID15908

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

C8H17N3

HCID26117

1H-Benzimidazole-2-acetic acid (9CI)

C9H8N2O2

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

PRODUCTS

生成物

结构：c1ccc(N2CCN(CCc3nc4ccccc4[nH]3)CC2)cc1

HCID19064972

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3c2600d3541d4ab3830da010da1f6499
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

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