Acetic Acid → HCID 178428324, compound

HRID 1152657Notes

Reaction equation

HRID 1152657 reaction equation
[C:42]([OH:43])(=[O:44])[CH3:45].[CH2:46]=[O:47].[CH2:52]1[O:53][CH2:54][CH2:55][CH2:56]1.[CH3:50][OH:51].[CH:1]([CH3:2])([CH3:3])[O:4][c:5]1[c:6]([NH:18][c:19]2[n:20][c:21]([NH:29][c:30]3[c:31]([S:36](=[O:37])(=[O:38])[CH:39]([CH3:40])[CH3:41])[cH:32][cH:33][cH:34][cH:35]3)[c:22]3[c:23]([n:24]2)[nH:25][n:26][c:27]3[CH3:28])[cH:7][c:8]([CH3:17])[c:9]([CH:11]2[CH2:12][CH2:13][NH:14][CH2:15][CH2:16]2)[cH:10]1.[Cl-:48].[NH4+:49]>>[CH:1]([CH3:2])([CH3:3])[O:4][c:5]1[c:6]([NH:18][c:19]2[n:20][c:21]([NH:29][c:30]3[c:31]([S:36](=[O:37])(=[O:38])[CH:39]([CH3:40])[CH3:41])[cH:32][cH:33][cH:34][cH:35]3)[c:22]3[c:23]([n:24]2)[nH:25][n:26][c:27]3[CH3:28])[cH:7][c:8]([CH3:17])[c:9]([CH:11]2[CH2:12][CH2:13][N:14]([CH3:42])[CH2:15][CH2:16]2)[cH:10]1

Participants

8

Reactant 7

HCID 176Acetic AcidHCID 223AmmoniumHCID 312ChlorideHCID 712FormaldehydeHCID 887MethanolHCID 8028TetrahydrofuranHCID 178428323HCID 178428323, compound

Product 1

HCID 178428324HCID 178428324, compound

Sources & evidence

ORD record
ord-f0898d5ba2c3480c8b31095f0287eed5
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

Loading…