Acetic Acid → HCID 178483307, compound

HRID 2319206Notes

Reaction equation

HRID 2319206 reaction equation
[C:37]([OH:38])(=[O:39])[CH3:40].[CH3:35][NH2:36].[CH3:41][OH:42].[F:1][c:2]1[c:3]([CH2:8][O:9][c:10]2[cH:11][cH:12][c:13]([CH:16]3[CH2:17][CH2:18][C:19]([C:28](=[O:29])[O:30][CH3:31])([CH2:32][CH:33]=[O:34])[N:20]3[C:21](=[O:22])[O:23][C:24]([CH3:25])([CH3:26])[CH3:27])[cH:14][cH:15]2)[cH:4][cH:5][cH:6][cH:7]1>>[F:1][c:2]1[c:3]([CH2:8][O:9][c:10]2[cH:11][cH:12][c:13]([CH:16]3[CH2:17][CH2:18][C:19]([C:28](=[O:29])[O:30][CH3:31])([CH2:32][CH2:33][NH:36][CH3:35])[N:20]3[C:21](=[O:22])[O:23][C:24]([CH3:25])([CH3:26])[CH3:27])[cH:14][cH:15]2)[cH:4][cH:5][cH:6][cH:7]1

Participants

5

Reactant 4

HCID 176Acetic AcidHCID 887MethanolHCID 6329MethylamineHCID 178498552HCID 178498552, compound

Product 1

HCID 178483307HCID 178483307, compound

Sources & evidence

ORD record
ord-68ee3b3f895c4db6b4f98fbc89b1b1fc
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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