Ethyl Acetate → HCID 178499378, compound

HRID 1226501Notes

Reaction equation

HRID 1226501 reaction equation
[CH3:49][CH2:50][O:51][C:52](=[O:53])[CH3:54].[F:1][c:2]1[cH:3][cH:4][c:5]([S:8](=[O:9])(=[O:10])[N:11]([CH:12]([CH2:13][n:14]2[cH:15][c:16]([CH2:23][C:24](=[O:25])[O:26][CH3:27])[c:17]3[c:18]2[n:19][cH:20][cH:21][cH:22]3)[CH2:28][CH:29]=[O:30])[CH3:31])[cH:6][cH:7]1.[c:32]1([CH3:33])[cH:34][cH:35][c:36]([S:37]([O-:38])(=[O:39])=[O:40])[cH:41][cH:42]1.[nH+:43]1[cH:44][cH:45][cH:46][cH:47][cH:48]1>>[F:1][c:2]1[cH:3][cH:4][c:5]([S:8](=[O:9])(=[O:10])[N:11]([CH:12]2[CH2:13][n:14]3[c:15]([c:16]([CH2:23][C:24](=[O:25])[O:26][CH3:27])[c:17]4[c:18]3[n:19][cH:20][cH:21][cH:22]4)[CH:29]=[CH:28]2)[CH3:31])[cH:6][cH:7]1

Participants

5

Reactant 4

HCID 8857Ethyl AcetateHCID 85570p-ToluenesulfonateHCID 4989215PyridiniumHCID 178499550HCID 178499550, compound

Product 1

HCID 178499378HCID 178499378, compound

Sources & evidence

ORD record
ord-66902476d78f45c3afb53a1487672383
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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