Dimethylformamide → (5-{4-[2-(4-tert-Butyl-phenyl)-1H-benzoimidazol-4-yl]-piperazin-1-ylmethyl}-2-nitro-phenyl)-pyridin-3-ylmethyl-amine

HRID 86850Notes

Reaction equation

HRID 86850 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][cH:7][c:8](-[c:11]2[n:12][c:13]3[c:14]([nH:15]2)[cH:16][cH:17][cH:18][c:19]3[N:20]2[CH2:21][CH2:22][N:23]([CH2:26][c:27]3[cH:28][c:29]([F:36])[c:30]([N+:33](=[O:34])[O-:35])[cH:31][cH:32]3)[CH2:24][CH2:25]2)[cH:9][cH:10]1.[CH3:45][N:46]([CH3:47])[CH:48]=[O:49].[CH3:50][CH2:51][O:52][C:53](=[O:54])[CH3:55].[NH2:37][CH2:38][c:39]1[cH:40][n:41][cH:42][cH:43][cH:44]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][cH:7][c:8](-[c:11]2[n:12][c:13]3[c:14]([nH:15]2)[cH:16][cH:17][cH:18][c:19]3[N:20]2[CH2:21][CH2:22][N:23]([CH2:26][c:27]3[cH:28][c:29]([NH:37][CH2:38][c:39]4[cH:40][n:41][cH:42][cH:43][cH:44]4)[c:30]([N+:33](=[O:34])[O-:35])[cH:31][cH:32]3)[CH2:24][CH2:25]2)[cH:9][cH:10]1

Participants

5

Reactant 4

HCID 6228DimethylformamideHCID 8857Ethyl AcetateHCID 310183-PyridinemethanamineHCID 585927062-(4-tert-Butyl-phenyl)-4-[4-(3-fluoro-4-nitro-benzyl)-piperazin-1-yl]-1H-benzoimidazole

Product 1

HCID 58592806(5-{4-[2-(4-tert-Butyl-phenyl)-1H-benzoimidazol-4-yl]-piperazin-1-ylmethyl}-2-nitro-phenyl)-pyridin-3-ylmethyl-amine

Sources & evidence

ORD record
ord-3c89c8f47d32495084019ec5388127e3
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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