Ammonia → N6-[2-[4-[[1-[(4-fluorophenyl)methyl]-1H-benzimidazol-2-yl]-amino]-1-piperidinyl]ethyl]-2,3,6-pyridinetriamine

HRID 685585

Reaction equation

HRID 685585 reaction equation
[CH3:46][OH:47].[F:1][c:2]1[cH:3][cH:4][c:5]([CH2:8][n:9]2[c:10]([NH:18][CH:19]3[CH2:20][CH2:21][N:22]([CH2:25][CH2:26][NH:27][c:28]4[cH:29][cH:30][c:31]([N+:35]([O-:36])=[O:37])[c:32]([NH2:34])[n:33]4)[CH2:23][CH2:24]3)[n:11][c:12]3[c:13]2[cH:14][cH:15][cH:16][cH:17]3)[cH:6][cH:7]1.[H:44][H:45].[NH3:43].[cH:38]1[cH:39][s:40][cH:41][cH:42]1>>[F:1][c:2]1[cH:3][cH:4][c:5]([CH2:8][n:9]2[c:10]([NH:18][CH:19]3[CH2:20][CH2:21][N:22]([CH2:25][CH2:26][NH:27][c:28]4[cH:29][cH:30][c:31]([NH2:35])[c:32]([NH2:34])[n:33]4)[CH2:23][CH2:24]3)[n:11][c:12]3[c:13]2[cH:14][cH:15][cH:16][cH:17]3)[cH:6][cH:7]1

Participants

6

Reactant 5

HCID 222AmmoniaHCID 887MethanolHCID 8030ThiopheneHCID 13588113N6-[2-[4-[[1-[(4-fluorophenyl)methyl]1H-benzimidazol-2-yl]amino]-1-piperidinyl]ethyl]-3-nitro-2,6-pyridinediamineHCID 178418361HCID 178418361, compound

Product 1

HCID 14989867N6-[2-[4-[[1-[(4-fluorophenyl)methyl]-1H-benzimidazol-2-yl]-amino]-1-piperidinyl]ethyl]-2,3,6-pyridinetriamine

Sources & evidence

ORD record
ord-5e70616012c34b4b8fa152724f6ae31f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Linked notes

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