Acetic Acid → HCID 23081615, compound

HRID 1129457Notes

Reaction equation

HRID 1129457 reaction equation
[CH2:55]([Cl:56])[Cl:57].[CH3:1][N:2]([CH2:3][CH2:4][N:5]1[CH2:6][CH2:7][N:8]([C:11]([O:12][C:13]([CH3:14])([CH3:15])[CH3:16])=[O:17])[CH2:9][CH2:10]1)[CH2:18][C:19]1([CH3:30])[CH2:20][n:21]2[c:22]([n:24][c:25]([N+:27](=[O:28])[O-:29])[cH:26]2)[O:23]1.[CH3:58][C:59](=[O:60])[OH:61].[F:38][C:39]([c:40]1[cH:41][cH:42][c:43]([CH:44]=[O:45])[cH:46][cH:47]1)([F:48])[F:49].[Na+:50].[OH:31][C:32]([C:33]([F:34])([F:35])[F:36])=[O:37].[OH:51][C:52](=[O:53])[O-:54]>>[CH3:1][N:2]([CH2:3][CH2:4][N:5]1[CH2:6][CH2:7][N:8]([CH2:11][c:43]2[cH:42][cH:41][c:40]([C:39]([F:38])([F:48])[F:49])[cH:47][cH:46]2)[CH2:9][CH2:10]1)[CH2:18][C:19]1([CH3:30])[CH2:20][n:21]2[c:22]([n:24][c:25]([N+:27](=[O:28])[O-:29])[cH:26]2)[O:23]1

Participants

8

Reactant 7

HCID 176Acetic AcidHCID 769Bicarbonate IonHCID 923Sodium ionHCID 6344DichloromethaneHCID 6422Trifluoroacetic acidHCID 679964-(Trifluoromethyl)benzaldehydeHCID 77712947HCID 77712947, compound

Product 1

HCID 23081615HCID 23081615, compound

Sources & evidence

ORD record
ord-5f6e1b70a7424f4595b7c3ea4e76995f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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