Acetate → HCID 67111881, compound

HRID 2126030Notes

Reaction equation

HRID 2126030 reaction equation
[CH3:28][C:29](=[O:30])[OH:31].[CH3:37][C:38](=[O:39])[O-:40].[F:1][c:2]1[cH:3][c:4]([CH:5]=[O:6])[cH:7][cH:8][c:9]1-[c:10]1[s:11][c:12]2[n:13][c:14]([C:19]3([c:22]4[cH:23][cH:24][cH:25][cH:26][cH:27]4)[CH2:20][CH2:21]3)[cH:15][cH:16][c:17]2[n:18]1.[N+:32](=[O:33])([O-:34])[CH3:35].[NH4+:36].[OH2:41]>>[F:1][c:2]1[cH:3][c:4]([CH:5]=[CH:35][N+:32](=[O:33])[O-:34])[cH:7][cH:8][c:9]1-[c:10]1[s:11][c:12]2[n:13][c:14]([C:19]3([c:22]4[cH:23][cH:24][cH:25][cH:26][cH:27]4)[CH2:20][CH2:21]3)[cH:15][cH:16][c:17]2[n:18]1

Participants

7

Reactant 6

HCID 175AcetateHCID 176Acetic AcidHCID 223AmmoniumHCID 962WaterHCID 6375NitromethaneHCID 591749073-Fluoro-4-(5-(1-phenylcyclopropyl)thiazolo[5,4-b]pyridin-2-yl)benzaldehyde

Product 1

HCID 67111881HCID 67111881, compound

Sources & evidence

ORD record
ord-3de028813ba44d16ade891716c7d5c69
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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