Acetic Acid → HCID 68883960, compound

HRID 180133Notes

Reaction equation

HRID 180133 reaction equation
[CH3:18][O:19][CH2:20][CH2:21][N:22]([S:23](=[O:24])(=[O:25])[c:26]1[cH:27][cH:28][c:29]([I:32])[cH:30][cH:31]1)[C:33]([CH3:34])([CH3:35])[CH3:36].[CH3:37][C:38](=[O:39])[OH:40].[NH2:1][c:2]1[n:3][cH:4][cH:5][c:6](-[c:8]2[cH:9][n:10][c:11]([CH3:17])[n:12]2[CH2:13][CH:14]2[CH2:15][CH2:16]2)[n:7]1.[OH2:41]>>[NH:1]([c:2]1[n:3][cH:4][cH:5][c:6](-[c:8]2[cH:9][n:10][c:11]([CH3:17])[n:12]2[CH2:13][CH:14]2[CH2:15][CH2:16]2)[n:7]1)[c:29]1[cH:28][cH:27][c:26]([S:23]([N:22]([CH2:21][CH2:20][O:19][CH3:18])[C:33]([CH3:34])([CH3:35])[CH3:36])(=[O:24])=[O:25])[cH:31][cH:30]1

Participants

5

Reactant 4

HCID 176Acetic AcidHCID 962WaterHCID 68881545HCID 68881545, compoundHCID 68883909HCID 68883909, compound

Product 1

HCID 68883960HCID 68883960, compound

Sources & evidence

ORD record
ord-94572ff1972d47678856adcad27e7c5f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

Loading…