Methanol → Hydrogen iodide

HRID 125692Notes

Reaction equation

HRID 125692 reaction equation
[C:1]([O:2][C:3](=[O:4])[N:8]1[CH2:9][CH2:10][N:11]([c:15]2[n:16][c:17]3[c:18]([n:19]2[CH2:20][CH2:21][CH2:22][C:23]([F:24])([F:25])[F:26])[cH:27][cH:28][cH:29][cH:30]3)[CH2:12][CH2:13][CH2:14]1)([CH3:5])([CH3:6])[CH3:7].[CH3:31][OH:32].[CH3:34][CH2:35][O:36][CH2:37][CH3:38].[IH:33]>>[IH:33].[NH:8]1[CH2:9][CH2:10][N:11]([c:15]2[n:16][c:17]3[c:18]([n:19]2[CH2:20][CH2:21][CH2:22][C:23]([F:24])([F:25])[F:26])[cH:27][cH:28][cH:29][cH:30]3)[CH2:12][CH2:13][CH2:14]1

Participants

6

Reactant 4

HCID 887MethanolHCID 3283Diethyl EtherHCID 24841Hydrogen iodideHCID 212236081-t-butoxycarbonyl-4-(1-(4,4,4-trifluorobutyl)-1H-benzimidazol-2-yl)[1,4]diazepane

Product 2

HCID 24841Hydrogen iodideHCID 184644222-(1,4-Diazepan-1-yl)-1-(4,4,4-trifluorobutyl)benzimidazole

Sources & evidence

ORD record
ord-07544d522e134da8ba90ecf1301c3a1b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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