Acetic Acid → HCID 178517425, compound

HRID 2146043Notes

Reaction equation

HRID 2146043 reaction equation
[CH3:27][C:28]([OH:29])=[O:30].[F:1][C:2]1([F:24])[O:3][c:4]2[c:5]([cH:7][cH:8][cH:9][c:10]2-[c:11]2[cH:12][cH:13][c:14]3[cH:15][n:16][c:17]([S:20]([CH3:21])(=[O:22])=[O:23])[n:18][n:19]23)[O:6]1.[Na+:26].[O:31]1[CH2:32][CH2:33][CH2:34][CH2:35]1.[OH-:25].[OH2:36]>>[F:1][C:2]1([F:24])[O:3][c:4]2[c:5]([cH:7][cH:8][cH:9][c:10]2-[c:11]2[cH:12][cH:13][c:14]3[cH:15][n:16][c:17]([OH:29])[n:18][n:19]23)[O:6]1

Participants

7

Reactant 6

HCID 176Acetic AcidHCID 923Sodium ionHCID 961HydroxideHCID 962WaterHCID 8028TetrahydrofuranHCID 667125787-(2,2-Difluoro-benzo[1,3]dioxol-4-yl)-2-methanesulfonyl-pyrrolo[2,1-f][1,2,4]triazine

Product 1

HCID 178517425HCID 178517425, compound

Sources & evidence

ORD record
ord-c0bc3d430ad04810b25db45438a88480
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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