Acetic Acid → HCID 44546064, compound

HRID 305047Notes

Reaction equation

HRID 305047 reaction equation
[CH3:40][C:41](=[O:42])[OH:43].[F:1][c:2]1[c:3]([C:4]#[N:5])[cH:6][c:7]([CH2:10][c:11]2[nH:12][c:13](-[c:26]3[n:27][c:28]([CH3:32])[cH:29][cH:30][cH:31]3)[c:14](-[c:16]3[cH:17][c:18]4[n:19][cH:20][cH:21][n:22][c:23]4[cH:24][cH:25]3)[n:15]2)[cH:8][cH:9]1.[NH4+:39].[OH-:38].[OH2:44].[S:33]([OH:34])(=[O:35])(=[O:36])[OH:37]>>[F:1][c:2]1[c:3]([C:4]([NH2:5])=[O:34])[cH:6][c:7]([CH2:10][c:11]2[nH:12][c:13](-[c:26]3[n:27][c:28]([CH3:32])[cH:29][cH:30][cH:31]3)[c:14](-[c:16]3[cH:17][c:18]4[n:19][cH:20][cH:21][n:22][c:23]4[cH:24][cH:25]3)[n:15]2)[cH:8][cH:9]1

Participants

7

Reactant 6

HCID 176Acetic AcidHCID 223AmmoniumHCID 961HydroxideHCID 962WaterHCID 1118Sulfuric AcidHCID 44545869HCID 44545869, compound

Product 1

HCID 44546064HCID 44546064, compound

Sources & evidence

ORD record
ord-beacf47164db4b0fb074389d16c1603b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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