Citric Acid → 2-[2-(4-phenylpiperazin-1-yl)ethyl]-1H-benzimidazole

HRID 1553601

Reaction equation

HRID 1553601 reaction equation
[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

Participants

9

Reactant 8

HCID 311Citric AcidHCID 313Hydrochloric AcidHCID 70961-PhenylpiperazineHCID 8028TetrahydrofuranHCID 8471TriethylamineHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 261171H-Benzimidazole-2-acetic acidHCID 757711-Hydroxybenzotriazole

Product 1

HCID 190649722-[2-(4-phenylpiperazin-1-yl)ethyl]-1H-benzimidazole

Sources & evidence

ORD record
ord-3c2600d3541d4ab3830da010da1f6499
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Linked notes

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