Acetic Acid → HCID 178448767, compound

HRID 1205094Notes

Reaction equation

HRID 1205094 reaction equation
[C:23]([CH3:24])([CH3:25])([CH3:26])[n:27]1[n:28][c:29](-[c:32]2[cH:33][c:34]([CH:35]=[O:36])[cH:37][cH:38][cH:39]2)[n:30][n:31]1.[CH3:19][C:20](=[O:21])[OH:22].[CH3:40][OH:41].[NH2:1][c:2]1[n:3][nH:4][c:5]2[n:6][cH:7][n:8][c:9]([NH:11][c:12]3[cH:13][c:14]([Cl:18])[cH:15][cH:16][cH:17]3)[c:10]12>>[N:1]([c:2]1[n:3][nH:4][c:5]2[n:6][cH:7][n:8][c:9]([NH:11][c:12]3[cH:13][c:14]([Cl:18])[cH:15][cH:16][cH:17]3)[c:10]12)=[CH:35][c:34]1[cH:33][c:32](-[c:29]2[n:28][n:27]([C:23]([CH3:24])([CH3:25])[CH3:26])[n:31][n:30]2)[cH:39][cH:38][cH:37]1

Participants

5

Reactant 4

HCID 176Acetic AcidHCID 887MethanolHCID 21190634HCID 21190634, compoundHCID 178509242HCID 178509242, compound

Product 1

HCID 178448767HCID 178448767, compound

Sources & evidence

ORD record
ord-503c099c79074920853d6845a39b39b4
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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