Acetic Acid → HCID 14538205, compound

HRID 108708Notes

Reaction equation

HRID 108708 reaction equation
[CH3:35][N:36]([CH3:37])[CH:38]=[O:39].[CH3:40][C:41](=[O:42])[OH:43].[F:18][C:19]([C:20]1([c:23]2[cH:24][cH:25][c:26]([O:29][CH2:30][CH3:31])[cH:27][cH:28]2)[CH2:21][O:22]1)([F:32])[F:33].[H-:1].[Na+:2].[O:3]([c:4]1[cH:5][cH:6][cH:7][cH:8][cH:9]1)[c:10]1[cH:11][c:12]([CH2:13][SH:14])[cH:15][cH:16][cH:17]1.[OH2:34]>>[O:3]([c:4]1[cH:5][cH:6][cH:7][cH:8][cH:9]1)[c:10]1[cH:11][c:12]([CH2:13][S:14][CH2:21][C:20]([C:19]([F:18])([F:32])[F:33])([OH:22])[c:23]2[cH:24][cH:25][c:26]([O:29][CH2:30][CH3:31])[cH:27][cH:28]2)[cH:15][cH:16][cH:17]1

Participants

8

Reactant 7

HCID 176Acetic AcidHCID 923Sodium ionHCID 962WaterHCID 6228DimethylformamideHCID 166653HydrideHCID 13880753HCID 13880753, compoundHCID 14350403(3-Phenoxyphenyl)methanethiol

Product 1

HCID 14538205HCID 14538205, compound

Sources & evidence

ORD record
ord-afde103b31ef413a96a7dd8430e9470c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

Loading…