Acetic Acid → HCID 15521231, compound

HRID 683516Notes

Reaction equation

HRID 683516 reaction equation
[CH3:33][C:34](=[O:35])[OH:36].[F:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[n:9][cH:10][n:11]([CH2:21][CH2:22][CH2:23][N:24]3[CH2:25][CH2:26][O:27][CH2:28][CH2:29]3)[c:12]2-[c:13]2[n:14][c:15]([S:19][CH3:20])[n:16][cH:17][cH:18]2)[cH:6][cH:7]1.[NH4+:30].[OH-:31].[OH2:32]>>[F:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[n:9][cH:10][n:11]([CH2:21][CH2:22][CH2:23][N:24]3[CH2:25][CH2:26][O:27][CH2:28][CH2:29]3)[c:12]2-[c:13]2[n:14][c:15]([S:19]([CH3:20])=[O:31])[n:16][cH:17][cH:18]2)[cH:6][cH:7]1

Participants

6

Reactant 5

HCID 176Acetic AcidHCID 223AmmoniumHCID 961HydroxideHCID 962WaterHCID 15521230HCID 15521230, compound

Product 1

HCID 15521231HCID 15521231, compound

Sources & evidence

ORD record
ord-7711a38ff7ee449c86e5187ad949e203
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

Loading…