Ethyl Acetate → HCID 25175475, compound

HRID 105370Notes

Reaction equation

HRID 105370 reaction equation
[CH3:52][CH2:53][CH2:54][CH2:55][N+:56]([CH2:57][CH2:58][CH2:59][CH3:60])([CH2:61][CH2:62][CH2:63][CH3:64])[CH2:65][CH2:66][CH2:67][CH3:68].[CH3:69][CH2:70][O:71][C:72]([CH3:73])=[O:74].[F-:51].[F:1][c:2]1[cH:3][cH:4][c:5]([CH:8]([CH2:9][CH2:10][N:11]([C:12](=[O:13])[NH:14][c:15]2[s:16][c:17]([Cl:35])[c:18](-[c:20]3[cH:21][cH:22][c:23](-[n:26]4[n:27][n:28][c:29]([Si:31]([CH3:32])([CH3:33])[CH3:34])[cH:30]4)[cH:24][cH:25]3)[n:19]2)[CH2:36][CH2:37][c:38]2[n:39][cH:40][cH:41][cH:42][cH:43]2)[c:44]2[cH:45][cH:46][c:47]([F:50])[cH:48][cH:49]2)[cH:6][cH:7]1>>[F:1][c:2]1[cH:3][cH:4][c:5]([CH:8]([CH2:9][CH2:10][N:11]([C:12](=[O:13])[NH:14][c:15]2[s:16][c:17]([Cl:35])[c:18](-[c:20]3[cH:21][cH:22][c:23](-[n:26]4[n:27][n:28][cH:29][cH:30]4)[cH:24][cH:25]3)[n:19]2)[CH2:36][CH2:37][c:38]2[n:39][cH:40][cH:41][cH:42][cH:43]2)[c:44]2[cH:45][cH:46][c:47]([F:50])[cH:48][cH:49]2)[cH:6][cH:7]1

Participants

5

Reactant 4

HCID 8857Ethyl AcetateHCID 16028TetrabutylammoniumHCID 28179Fluoride IonHCID 57586411HCID 57586411, compound

Product 1

HCID 25175475HCID 25175475, compound

Sources & evidence

ORD record
ord-497d01f65b1342b3b90ffca3eed5c0a5
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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