Acetic Acid → HCID 141820655, compound

HRID 2344985Notes

Reaction equation

HRID 2344985 reaction equation
[CH2:9]([c:10]1[cH:11][cH:12][cH:13][cH:14][cH:15]1)[O:16][c:17]1[c:18]([O:44][CH3:45])[cH:19][c:20]2[c:21]([O:27][c:28]3[c:29]([F:43])[cH:30][c:31]([NH:34][C:35](=[O:36])[C:37]4([C:40](=[O:41])[OH:42])[CH2:38][CH2:39]4)[cH:32][cH:33]3)[n:22][cH:23][n:24][c:25]2[cH:26]1.[CH3:46][C:47](=[O:48])[OH:49].[CH3:53][OH:54].[Cl:50][CH2:51][Cl:52].[F:1][c:2]1[cH:3][cH:4][c:5]([NH-:8])[cH:6][cH:7]1.[H:55][H:56]>>[F:1][c:2]1[cH:3][cH:4][c:5]([NH-:8])[cH:6][cH:7]1.[OH:16][c:17]1[c:18]([O:44][CH3:45])[cH:19][c:20]2[c:21]([O:27][c:28]3[c:29]([F:43])[cH:30][c:31]([NH:34][C:35](=[O:36])[C:37]4([C:40](=[O:41])[OH:42])[CH2:38][CH2:39]4)[cH:32][cH:33]3)[n:22][cH:23][n:24][c:25]2[cH:26]1

Participants

8

Reactant 6

HCID 176Acetic AcidHCID 887MethanolHCID 6344DichloromethaneHCID 86611287HCID 86611287, compoundHCID 141820655HCID 141820655, compoundHCID 178418361HCID 178418361, compound

Product 2

HCID 141820655HCID 141820655, compoundHCID 158768547HCID 158768547, compound

Sources & evidence

ORD record
ord-58b5f1242bdc4242bc959e50eb5b2059
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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