tert-Butanol → HCID 66712554, compound

HRID 140646Notes

Reaction equation

HRID 140646 reaction equation
[C:46]([OH:47])([CH3:48])([CH3:49])[CH3:50].[CH3:15][S:16](=[O:17])[c:18]1[n:19][n:20]2[c:21]([cH:22][n:23]1)[cH:24][cH:25][c:26]2-[c:27]1[c:28]([O:33][CH3:34])[cH:29][cH:30][cH:31][cH:32]1.[CH3:1][N:2]1[CH2:3][CH2:4][N:5]([c:8]2[cH:9][cH:10][c:11]([NH2:14])[n:12][cH:13]2)[CH2:6][CH2:7]1.[CH:37]([N:38]([CH2:39][CH3:40])[CH:41]([CH3:42])[CH3:43])([CH3:44])[CH3:45].[Cs+:36].[F-:35]>>[CH3:1][N:2]1[CH2:3][CH2:4][N:5]([c:8]2[cH:9][cH:10][c:11]([NH:14][c:18]3[n:19][n:20]4[c:21]([cH:22][n:23]3)[cH:24][cH:25][c:26]4-[c:27]3[c:28]([O:33][CH3:34])[cH:29][cH:30][cH:31][cH:32]3)[n:12][cH:13]2)[CH2:6][CH2:7]1

Participants

7

Reactant 6

HCID 6386tert-ButanolHCID 28179Fluoride IonHCID 81531DiisopropylethylamineHCID 104967Cesium cationHCID 223298335-(4-Methylpiperazin-1-yl)pyridin-2-amineHCID 667107912-Methanesulfinyl-7-(2-methoxy-phenyl)-pyrrolo[2,1-f][1,2,4]triazine

Product 1

HCID 66712554HCID 66712554, compound

Sources & evidence

ORD record
ord-dab87bda7b074d05b36a3d024cddeb47
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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