Acetic Acid → HCID 178419948, compound

HRID 2319673Notes

Reaction equation

HRID 2319673 reaction equation
[CH3:43][C:44](=[O:45])[OH:46].[CH:39]([O-:40])=[O:41].[NH4+:42].[nH:1]1[n:2][n:3][c:4]2[c:5]1[cH:6][cH:7][c:8]([NH:10][c:11]1[n:12][cH:13][cH:14][c:15](-[c:17]3[cH:18][cH:19][c:20]([N:23]4[CH2:24][CH2:25][N:26]([C:29]([O:30][CH2:31][c:32]5[cH:33][cH:34][cH:35][cH:36][cH:37]5)=[O:38])[CH2:27][CH2:28]4)[n:21][cH:22]3)[n:16]1)[cH:9]2>>[nH:1]1[n:2][n:3][c:4]2[c:5]1[cH:6][cH:7][c:8]([NH:10][c:11]1[n:12][cH:13][cH:14][c:15](-[c:17]3[cH:18][cH:19][c:20]([N:23]4[CH2:24][CH2:25][NH:26][CH2:27][CH2:28]4)[n:21][cH:22]3)[n:16]1)[cH:9]2

Participants

5

Reactant 4

HCID 176Acetic AcidHCID 223AmmoniumHCID 283FormateHCID 178525151HCID 178525151, compound

Product 1

HCID 178419948HCID 178419948, compound

Sources & evidence

ORD record
ord-641dbc0be66340808b2343c754e99e87
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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