1-Butanol → HCID 57989818, compound

HRID 206115Notes

Reaction equation

HRID 206115 reaction equation
[CH2:43]([OH:44])[CH2:45][CH2:46][CH3:47].[CH:33]1([NH2:36])[CH2:34][CH2:35]1.[Cl:1][c:2]1[n:3][cH:4][cH:5][c:6](-[c:8]2[c:9](-[c:16]3[cH:17][c:18]([NH:22][S:23](=[O:24])(=[O:25])[c:26]4[cH:27][c:28]([F:32])[cH:29][cH:30][cH:31]4)[cH:19][cH:20][cH:21]3)[n:10][c:11]([CH:13]([CH3:14])[CH3:15])[s:12]2)[n:7]1.[K+:37].[K+:38].[O-:39][C:40]([O-:41])=[O:42]>>[c:2]1([NH:36][CH:33]2[CH2:34][CH2:35]2)[n:3][cH:4][cH:5][c:6](-[c:8]2[c:9](-[c:16]3[cH:17][c:18]([NH:22][S:23](=[O:24])(=[O:25])[c:26]4[cH:27][c:28]([F:32])[cH:29][cH:30][cH:31]4)[cH:19][cH:20][cH:21]3)[n:10][c:11]([CH:13]([CH3:14])[CH3:15])[s:12]2)[n:7]1

Participants

6

Reactant 5

HCID 2631-ButanolHCID 813Potassium Cation2×HCID 19660Carbonate IonHCID 69828CyclopropylamineHCID 57989926HCID 57989926, compound

Product 1

HCID 57989818HCID 57989818, compound

Sources & evidence

ORD record
ord-b8aa5a5774154c3399b72afb2506b97c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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