3,4-Diaminopyridine → N-(4-amino-3-pyridinyl)-N'-[2-[4-[[3-(2-ethoxyethyl)-3H-imidazo[4,5-b]pyridin-2-yl]methyl)-1-piperazinyl]ethyl]thiourea

HRID 1213685Notes

Reaction equation

HRID 1213685 reaction equation
[CH2:9]([CH3:10])[O:11][CH2:12][CH2:13][n:14]1[c:15]([CH2:23][N:24]2[CH2:25][CH2:26][N:27]([CH2:30][CH2:31][N:32]=[C:33]=[S:34])[CH2:28][CH2:29]2)[n:16][c:17]2[c:18]1[n:19][cH:20][cH:21][cH:22]2.[n:1]1[cH:2][c:3]([NH2:8])[c:4]([NH2:7])[cH:5][cH:6]1>>[n:1]1[cH:2][c:3]([NH:8][C:33]([NH:32][CH2:31][CH2:30][N:27]2[CH2:26][CH2:25][N:24]([CH2:23][c:15]3[n:14]([CH2:13][CH2:12][O:11][CH2:9][CH3:10])[c:18]4[c:17]([n:16]3)[cH:22][cH:21][cH:20][n:19]4)[CH2:29][CH2:28]2)=[S:34])[c:4]([NH2:7])[cH:5][cH:6]1

Participants

3

Reactant 2

HCID 59183,4-DiaminopyridineHCID 199114903-(2-ethoxyethyl)-2-[[4-(2-isothiocyanatoethyl)-1-piperazinyl]methyl]-3H-imidazo[4,5-b]pyridine

Product 1

HCID 19911578N-(4-amino-3-pyridinyl)-N'-[2-[4-[[3-(2-ethoxyethyl)-3H-imidazo[4,5-b]pyridin-2-yl]methyl)-1-piperazinyl]ethyl]thiourea

Sources & evidence

ORD record
ord-e61be56328d04350befa73ad47d1bf55
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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