Acetic Acid → HCID 15452320, compound

HRID 693001Notes

Reaction equation

HRID 693001 reaction equation
[CH3:1][N:2]([CH3:3])[C:30]([S:4][c:5]1[cH:6][cH:7][c:8](-[c:11]2[cH:12][cH:13][c:14]([CH:17]3[N:18]=[C:19]([c:22]4[c:23]([F:29])[cH:24][cH:25][cH:26][c:27]4[F:28])[O:20][CH2:21]3)[cH:15][cH:16]2)[cH:9][cH:10]1)=[O:31].[CH3:32][OH:33].[CH3:34][O-:35].[CH3:37][C:38](=[O:39])[OH:40].[Na+:36].[OH2:41]>>[SH:4][c:5]1[cH:6][cH:7][c:8](-[c:11]2[cH:12][cH:13][c:14]([CH:17]3[N:18]=[C:19]([c:22]4[c:23]([F:29])[cH:24][cH:25][cH:26][c:27]4[F:28])[O:20][CH2:21]3)[cH:15][cH:16]2)[cH:9][cH:10]1

Participants

7

Reactant 6

HCID 176Acetic AcidHCID 887MethanolHCID 923Sodium ionHCID 962WaterHCID 3826051MethoxideHCID 18786419HCID 18786419, compound

Product 1

HCID 15452320HCID 15452320, compound

Sources & evidence

ORD record
ord-d746bf45c3a8406c9a33aeb0b6d2e6a9
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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