Isopropanol → Hydrogen iodide

HRID 1220877Notes

Reaction equation

HRID 1220877 reaction equation
[CH3:2][O:3][CH:4]([CH2:5][NH:6][C:7](=[N:8][CH3:9])[S:10][CH3:11])[O:12][CH3:13].[CH3:41][CH:42]([OH:43])[CH3:44].[F:14][c:15]1[cH:16][cH:17][c:18]([CH2:21][n:22]2[c:23]([CH2:31][CH:32]3[CH2:33][CH2:34][N:35]([CH2:38][CH2:39][NH2:40])[CH2:36][CH2:37]3)[n:24][c:25]3[c:26]2[cH:27][cH:28][cH:29][cH:30]3)[cH:19][cH:20]1.[IH:1]>>[CH3:2][O:3][CH:4]([CH2:5][NH:6][C:7](=[N:8][CH3:9])[NH:40][CH2:39][CH2:38][N:35]1[CH2:34][CH2:33][CH:32]([CH2:31][c:23]2[n:22]([CH2:21][c:18]3[cH:17][cH:16][c:15]([F:14])[cH:20][cH:19]3)[c:26]3[c:25]([n:24]2)[cH:30][cH:29][cH:28][cH:27]3)[CH2:37][CH2:36]1)[O:12][CH3:13].[IH:1]

Participants

6

Reactant 4

HCID 3776IsopropanolHCID 24841Hydrogen iodideHCID 14518041HCID 14518041, compoundHCID 19377718HCID 19377718, compound

Product 2

HCID 24841Hydrogen iodideHCID 14518060HCID 14518060, compound

Sources & evidence

ORD record
ord-8666759ac23441ba819e276f6a1d22af
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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