Water → HCID 86664930, compound

HRID 290404Notes

Reaction equation

HRID 290404 reaction equation
[CH2:48]1[O:49][CH2:50][CH2:51][CH2:52]1.[CH3:54][CH2:55][CH2:56][CH2:57][N+:58]([CH2:59][CH2:60][CH2:61][CH3:62])([CH2:63][CH2:64][CH2:65][CH3:66])[CH2:67][CH2:68][CH2:69][CH3:70].[F-:53].[F:1][c:2]1[c:3](-[c:9]2[n:10][c:11]3[c:12]([c:13]4[cH:14][cH:15][c:16]([C:19]#[C:20][Si:21]([CH3:22])([CH3:23])[CH3:24])[cH:17][c:18]24)[n:25][n:26]([CH2:39][O:40][CH2:41][CH2:42][Si:43]([CH3:44])([CH3:45])[CH3:46])[c:27]3[NH:28][CH:29]2[CH2:30][CH2:31][N:32]([S:35](=[O:36])(=[O:37])[CH3:38])[CH2:33][CH2:34]2)[c:4]([F:8])[cH:5][cH:6][cH:7]1.[OH2:47]>>[F:1][c:2]1[c:3](-[c:9]2[n:10][c:11]3[c:12]([c:13]4[cH:14][cH:15][c:16]([C:19]#[CH:20])[cH:17][c:18]24)[n:25][n:26]([CH2:39][O:40][CH2:41][CH2:42][Si:43]([CH3:44])([CH3:45])[CH3:46])[c:27]3[NH:28][CH:29]2[CH2:30][CH2:31][N:32]([S:35](=[O:36])(=[O:37])[CH3:38])[CH2:33][CH2:34]2)[c:4]([F:8])[cH:5][cH:6][cH:7]1

Participants

6

Reactant 5

HCID 962WaterHCID 8028TetrahydrofuranHCID 16028TetrabutylammoniumHCID 28179Fluoride IonHCID 66770583HCID 66770583, compound

Product 1

HCID 86664930HCID 86664930, compound

Sources & evidence

ORD record
ord-7e8cf0320334450ab69aaaa5f33eccac
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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