Methanol → HCID 68860780, compound

HRID 1222872Notes

Reaction equation

HRID 1222872 reaction equation
[B-:1]([F:2])([F:3])([F:4])[F:5].[B-:6]([F:7])([F:8])([F:9])[F:10].[C:22]([CH3:23])([CH3:24])([CH3:25])[O:26][C:27]([c:28]1[cH:29][n:30][c:31]([NH2:43])[cH:32][c:33]1[NH:34][c:35]1[c:36]([Cl:42])[cH:37][c:38]([Br:41])[cH:39][cH:40]1)=[O:44].[CH3:45][OH:46].[CH3:47][CH2:48][O:49][C:50]([CH3:51])=[O:52].[Cl:11][CH2:12][N+:13]12[CH2:14][CH2:15][N+:16]([F:21])([CH2:17][CH2:18]1)[CH2:19][CH2:20]2.[OH2:53]>>[F:21][c:32]1[c:31]([NH2:43])[n:30][cH:29][c:28]([C:27]([O:26][C:22]([CH3:23])([CH3:24])[CH3:25])=[O:44])[c:33]1[NH:34][c:35]1[c:36]([Cl:42])[cH:37][c:38]([Br:41])[cH:39][cH:40]1

Participants

7

Reactant 6

HCID 887MethanolHCID 962WaterHCID 8857Ethyl AcetateHCID 26255Tetrafluoroborate2×HCID 27249341-(Chloromethyl)-4-fluoro-1,4-diazoniabicyclo(2.2.2)octaneHCID 68859908HCID 68859908, compound

Product 1

HCID 68860780HCID 68860780, compound

Sources & evidence

ORD record
ord-8c6a3a14ddb64c86bbb8be1928712505
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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