Acetic Acid → HCID 66924240, compound

HRID 2144644Notes

Reaction equation

HRID 2144644 reaction equation
[C:1]([O:2][C:3](=[O:4])[N:8]1[CH2:9][CH2:10][CH:11]([NH:14][CH:15]2[CH2:16][CH2:17][N:18]([c:21]3[c:22]([F:40])[cH:23][c:24]4[c:25](=[O:39])[c:26]([C:36](=[O:37])[OH:38])[cH:27][n:28]([CH:33]5[CH2:34][CH2:35]5)[c:29]4[c:30]3[O:31][CH3:32])[CH2:19][CH2:20]2)[CH2:12][CH2:13]1)([CH3:5])([CH3:6])[CH3:7].[CH3:54][C:55](=[O:56])[OH:57].[Cl:58][CH:59]([Cl:60])[CH3:61].[Na+:48].[Na+:49].[O-:50][C:51](=[O:52])[O-:53].[OH:41][C:42]([C:43]([F:44])([F:45])[F:46])=[O:47]>>[NH:8]1[CH2:9][CH2:10][CH:11]([NH:14][CH:15]2[CH2:16][CH2:17][N:18]([c:21]3[c:22]([F:40])[cH:23][c:24]4[c:25](=[O:39])[c:26]([C:36](=[O:37])[OH:38])[cH:27][n:28]([CH:33]5[CH2:34][CH2:35]5)[c:29]4[c:30]3[O:31][CH3:32])[CH2:19][CH2:20]2)[CH2:12][CH2:13]1

Participants

7

Reactant 6

HCID 176Acetic AcidHCID 923Sodium ion2×HCID 63651,1-DichloroethaneHCID 6422Trifluoroacetic acidHCID 19660Carbonate IonHCID 66924231HCID 66924231, compound

Product 1

HCID 66924240HCID 66924240, compound

Sources & evidence

ORD record
ord-bdf7a82782a44b829f7e830afa1e3d97
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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