Potassium Cation → HCID 72325065, compound

HRID 1129958Notes

Reaction equation

HRID 1129958 reaction equation
[CH3:61][CH2:62][O:63][C:64](=[O:65])[CH3:66].[F:1][c:2]1[c:3]2[c:7]([cH:8][cH:9][cH:10]1)[CH2:6][N:5]([C:11](=[O:12])[O:13][CH:14]1[CH2:15][CH:16]3[C:17](=[O:51])[NH:18][C:19]4([C:42]([NH:43][S:44](=[O:45])(=[O:46])[CH:47]5[CH2:48][CH2:49]5)=[O:50])[CH:20]([CH:21]=[CH:22][CH2:23][O:24][CH2:25][CH2:26][CH2:27][CH:28]([NH:33][C:34](=[O:35])[O:36][C:37]([CH3:38])([CH3:39])[CH3:40])[C:29](=[O:32])[N:30]3[CH2:31]1)[CH2:41]4)[CH2:4]2.[H:52][H:53].[K+:60].[OH2:54].[S:55]([O-:56])([OH:57])(=[O:58])=[O:59]>>[F:1][c:2]1[c:3]2[c:7]([cH:8][cH:9][cH:10]1)[CH2:6][N:5]([C:11](=[O:12])[O:13][CH:14]1[CH2:15][CH:16]3[C:17](=[O:51])[NH:18][C:19]4([C:42]([NH:43][S:44](=[O:45])(=[O:46])[CH:47]5[CH2:48][CH2:49]5)=[O:50])[CH:20]([CH2:21][CH2:22][CH2:23][O:24][CH2:25][CH2:26][CH2:27][CH:28]([NH:33][C:34](=[O:35])[O:36][C:37]([CH3:38])([CH3:39])[CH3:40])[C:29](=[O:32])[N:30]3[CH2:31]1)[CH2:41]4)[CH2:4]2

Participants

7

Reactant 6

HCID 813Potassium CationHCID 962WaterHCID 8857Ethyl AcetateHCID 61778Sulfate, hydrogenHCID 178418361HCID 178418361, compoundHCID 178452804HCID 178452804, compound

Product 1

HCID 72325065HCID 72325065, compound

Sources & evidence

ORD record
ord-49d1cab876864881955e5176f6dfdea9
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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