Ethanol → Hydrogen iodide

HRID 168725Notes

Reaction equation

HRID 168725 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][c:21]2[cH:22][cH:23][c:24]([F:27])[cH:25][cH:26]2)[cH:28][cH:29][cH:30][cH:31]3)[CH2:12][CH2:13][CH2:14]1)([CH3:5])([CH3:6])[CH3:7].[CH3:32][CH2:33][OH:34].[CH3:36][CH2:37][O:38][CH2:39][CH3:40].[IH:35]>>[IH:35].[NH:8]1[CH2:9][CH2:10][N:11]([c:15]2[n:16][c:17]3[c:18]([n:19]2[CH2:20][c:21]2[cH:22][cH:23][c:24]([F:27])[cH:25][cH:26]2)[cH:28][cH:29][cH:30][cH:31]3)[CH2:12][CH2:13][CH2:14]1

Participants

6

Reactant 4

HCID 702EthanolHCID 3283Diethyl EtherHCID 24841Hydrogen iodideHCID 184648461-t-butoxycarbonyl-4-(1-(4-fluorobenzyl)-1H-benzimidazol-2-yl)[1,4]diazepane

Product 2

HCID 24841Hydrogen iodideHCID 184649032-[1,4]Diazepan-1-YL-1-(4-fluoro-benzyl)-1H-benzoimidazole

Sources & evidence

ORD record
ord-11a4baf6b4174a0585e0d74d46716cdd
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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