Ethyl Acetate → HCID 59434145, compound

HRID 154087Notes

Reaction equation

HRID 154087 reaction equation
[CH3:66][CH2:67][O:68][C:69](=[O:70])[CH3:71].[Cl:55][c:56]1[cH:57][cH:58][cH:59][c:60]([C:61]([O:62][OH:64])=[O:63])[cH:65]1.[F:1][c:2]1[c:3]([CH2:48][CH2:49][C:50](=[O:51])[O:52][CH2:53][CH3:54])[cH:4][cH:5][c:6]([N:8]([S:9](=[O:10])(=[O:11])[c:12]2[c:13]([N+:18](=[O:19])[O-:20])[cH:14][cH:15][cH:16][cH:17]2)[CH2:21][c:22]2[cH:23][c:24](-[c:32]3[c:33]([CH3:47])[cH:34][c:35]([O:39][CH:40]4[CH2:41][CH2:42][S:43](=[O:46])[CH2:44][CH2:45]4)[cH:36][c:37]3[CH3:38])[c:25]([O:28][CH:29]([CH3:30])[CH3:31])[cH:26][cH:27]2)[cH:7]1>>[F:1][c:2]1[c:3]([CH2:48][CH2:49][C:50](=[O:51])[O:52][CH2:53][CH3:54])[cH:4][cH:5][c:6]([N:8]([S:9](=[O:10])(=[O:11])[c:12]2[c:13]([N+:18](=[O:19])[O-:20])[cH:14][cH:15][cH:16][cH:17]2)[CH2:21][c:22]2[cH:23][c:24](-[c:32]3[c:33]([CH3:47])[cH:34][c:35]([O:39][CH:40]4[CH2:41][CH2:42][S:43](=[O:46])(=[O:63])[CH2:44][CH2:45]4)[cH:36][c:37]3[CH3:38])[c:25]([O:28][CH:29]([CH3:30])[CH3:31])[cH:26][cH:27]2)[cH:7]1

Participants

4

Reactant 3

HCID 8857Ethyl AcetateHCID 70297m-Chloroperbenzoic acidHCID 68719618HCID 68719618, compound

Product 1

HCID 59434145HCID 59434145, compound

Sources & evidence

ORD record
ord-2b5643da15fc4c588e72f7baedd98d8a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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