tert-Butanol → HCID 86661693, compound

HRID 2128104Notes

Reaction equation

HRID 2128104 reaction equation
[C:54]([OH:55])([CH3:56])([CH3:57])[CH3:58].[CH3:21][S:22](=[O:23])[c:24]1[n:25][n:26]2[c:27]([cH:28][n:29]1)[cH:30][cH:31][c:32]2-[c:33]1[cH:34][cH:35][c:36]([S:39](=[O:40])(=[O:41])[CH3:42])[cH:37][cH:38]1.[CH:45]([N:46]([CH2:47][CH3:48])[CH:49]([CH3:50])[CH3:51])([CH3:52])[CH3:53].[Cs+:44].[F-:43].[NH2:1][c:2]1[cH:3][c:4]2[c:5]([cH:19][cH:20]1)[CH2:6][CH2:7][CH:8]([NH:12][C:13]([C:14]([F:15])([F:16])[F:17])=[O:18])[C:9](=[O:11])[NH:10]2>>[NH:1]([c:2]1[cH:3][c:4]2[c:5]([cH:19][cH:20]1)[CH2:6][CH2:7][CH:8]([NH:12][C:13]([C:14]([F:15])([F:16])[F:17])=[O:18])[C:9](=[O:11])[NH:10]2)[c:24]1[n:25][n:26]2[c:27]([cH:28][n:29]1)[cH:30][cH:31][c:32]2-[c:33]1[cH:34][cH:35][c:36]([S:39](=[O:40])(=[O:41])[CH3:42])[cH:37][cH:38]1

Participants

7

Reactant 6

HCID 6386tert-ButanolHCID 28179Fluoride IonHCID 81531DiisopropylethylamineHCID 104967Cesium cationHCID 667110462-(Methylsulfinyl)-7-(4-(methylsulfonyl)phenyl)pyrrolo[2,1-f][1,2,4]triazineHCID 86661694HCID 86661694, compound

Product 1

HCID 86661693HCID 86661693, compound

Sources & evidence

ORD record
ord-74eb44ae2e9f4b458f1af3142f81bc6c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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