Formic Acid → (4-dipropylamino-butyl)-(4-{[(1H-imidazol-2-ylmethyl)-(1-methyl-1H-imidazol-2-ylmethyl)-amino]-methyl}-benzyl)-formamide

HRID 667248Notes

Reaction equation

HRID 667248 reaction equation
[CH3:41][CH2:42][OH:43].[CH:35](=[O:36])[OH:37].[CH:38]([NH2:39])=[O:40].[nH:1]1[c:2]([CH2:6][N:7]([CH2:8][c:9]2[n:10]([CH3:14])[cH:11][cH:12][n:13]2)[CH2:15][c:16]2[cH:17][cH:18][c:19]([CH2:20][NH:21][CH2:22][CH2:23][CH2:24][CH2:25][N:26]([CH2:27][CH2:28][CH3:29])[CH2:30][CH2:31][CH3:32])[cH:33][cH:34]2)[n:3][cH:4][cH:5]1>>[n:1]1[c:2]([CH2:6][N:7]([CH2:8][c:9]2[n:10]([CH3:14])[cH:11][cH:12][n:13]2)[CH2:15][c:16]2[cH:17][cH:18][c:19]([CH2:20][N:21]([CH2:22][CH2:23][CH2:24][CH2:25][N:26]([CH2:27][CH2:28][CH3:29])[CH2:30][CH2:31][CH3:32])[CH:35]=[O:36])[cH:33][cH:34]2)[nH:3][cH:4][cH:5]1

Participants

5

Reactant 4

HCID 284Formic AcidHCID 702EthanolHCID 713FormamideHCID 58801930CXCR4 antagonist 1

Product 1

HCID 11504167(4-dipropylamino-butyl)-(4-{[(1H-imidazol-2-ylmethyl)-(1-methyl-1H-imidazol-2-ylmethyl)-amino]-methyl}-benzyl)-formamide

Sources & evidence

ORD record
ord-83bb6d3255c94042b338f33ac3874344
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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