Acetic Acid → HCID 178486443, compound

HRID 2135387Notes

Reaction equation

HRID 2135387 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[N:5]1[C:6](=[O:44])[c:7]2[c:8]([c:9](-[c:35]3[s:36][cH:37][cH:38][cH:39]3)[c:10]3[n:11]2[CH2:12][CH2:13][c:14]2[cH:15][c:16]([O:33][CH3:34])[c:17](-[n:20]4[n:21][n:22][c:23]([CH2:25][CH:26]5[O:27][C:28]([CH3:31])([CH3:32])[O:29][CH2:30]5)[cH:24]4)[cH:18][c:19]2-3)[CH2:40][CH2:41][CH2:42][CH2:43]1.[CH3:47][C:48](=[O:49])[OH:50].[NH4+:46].[OH-:45]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[N:5]1[C:6](=[O:44])[c:7]2[c:8]([c:9](-[c:35]3[s:36][cH:37][cH:38][cH:39]3)[c:10]3[n:11]2[CH2:12][CH2:13][c:14]2[cH:15][c:16]([O:33][CH3:34])[c:17](-[n:20]4[n:21][n:22][c:23]([CH2:25][CH:26]([OH:27])[CH2:30][OH:29])[cH:24]4)[cH:18][c:19]2-3)[CH2:40][CH2:41][CH2:42][CH2:43]1

Participants

5

Reactant 4

HCID 176Acetic AcidHCID 223AmmoniumHCID 961HydroxideHCID 123492667HCID 123492667, compound

Product 1

HCID 178486443HCID 178486443, compound

Sources & evidence

ORD record
ord-aac95f87a3fe49ac849f53223be63d34
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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