Isobutanol → HCID 178520103, compound

HRID 312836Notes

Reaction equation

HRID 312836 reaction equation
[CH2:20]([c:21]1[cH:22][cH:23][cH:24][cH:25][cH:26]1)[O:27][CH2:28][CH2:29][CH2:30][CH2:31][NH:32][c:33]1[cH:34][c:35]([CH2:36][NH2:37])[cH:38][cH:39][cH:40]1.[CH3:41][CH2:42][N:43]([CH2:44][CH3:45])[CH2:46][CH3:47].[CH3:48][CH:49]([CH2:50][OH:51])[CH3:52].[Cl:1][c:2]1[n:3][c:4]2[c:5]([n:6]1[CH:7]1[CH:8]([OH:9])[CH:10]([OH:11])[CH:12]([CH2:14][OH:15])[O:13]1)[cH:16][cH:17][cH:18][cH:19]2>>[c:2]1([NH:37][CH2:36][c:35]2[cH:34][c:33]([NH:32][CH2:31][CH2:30][CH2:29][CH2:28][O:27][CH2:20][c:21]3[cH:22][cH:23][cH:24][cH:25][cH:26]3)[cH:40][cH:39][cH:38]2)[n:3][c:4]2[c:5]([n:6]1[CH:7]1[CH:8]([OH:9])[CH:10]([OH:11])[CH:12]([CH2:14][OH:15])[O:13]1)[cH:16][cH:17][cH:18][cH:19]2

Participants

5

Reactant 4

HCID 6560IsobutanolHCID 8471TriethylamineHCID 269839Benzimidazole, 2-chloro-1-beta-D-ribofuranosyl-HCID 231439113-(4-Benzyloxybutylamino)benzylamine

Product 1

HCID 178520103HCID 178520103, compound

Sources & evidence

ORD record
ord-2f3b828e61e44e9c8485fcc5bade4240
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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