Acetic Acid → HCID 178505211, compound

HRID 1128520Notes

Reaction equation

HRID 1128520 reaction equation
[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][C:9](=[O:10])[N:11]1[CH:12]([CH2:21][O:22][CH2:23][CH2:24][OH:25])[CH2:13][CH:14]([O:16][S:17](=[O:18])(=[O:19])[CH3:20])[CH2:15]1.[CH2:26]([NH:27][CH2:28][CH3:29])[CH3:30].[CH3:41][O-:42].[CH3:47][OH:48].[CH3:49][C:50](=[O:51])[OH:52].[Cl:44][CH2:45][Cl:46].[F:31][C:32]([F:33])([F:34])[C:35]([F:36])=[C:37]([F:38])[F:39].[Na+:43].[OH2:40]>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][C:9](=[O:10])[N:11]1[CH:12]([CH2:21][O:22][CH2:23][CH2:24][F:31])[CH2:13][CH:14]([O:16][S:17](=[O:18])(=[O:19])[CH3:20])[CH2:15]1

Participants

10

Reactant 9

HCID 176Acetic AcidHCID 887MethanolHCID 923Sodium ionHCID 962WaterHCID 6344DichloromethaneHCID 8021DiethylamineHCID 8302HexafluoropropyleneHCID 3826051MethoxideHCID 178505220HCID 178505220, compound

Product 1

HCID 178505211HCID 178505211, compound

Sources & evidence

ORD record
ord-118cb1571b0d4442aea9cd98553fa448
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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