Acetic Acid → HCID 15051926, compound

HRID 688158Notes

Reaction equation

HRID 688158 reaction equation
[CH3:45][C:46](=[O:47])[OH:48].[OH2:49].[OH:1][CH:2]([CH:3]1[CH2:4][CH2:5][c:6]2[n:7]([c:8]3[cH:9][cH:10][cH:11][cH:12][c:13]3[c:14]2[CH2:15][CH2:16][CH3:17])[C:18]1=[O:19])[c:20]1[n:21][cH:22][n:23]([C:26]([c:27]2[cH:28][cH:29][cH:30][cH:31][cH:32]2)([c:33]2[cH:34][cH:35][cH:36][cH:37][cH:38]2)[c:39]2[cH:40][cH:41][cH:42][cH:43][cH:44]2)[c:24]1[CH3:25]>>[OH:1][CH:2]([CH:3]1[CH2:4][CH2:5][c:6]2[n:7]([c:8]3[cH:9][cH:10][cH:11][cH:12][c:13]3[c:14]2[CH2:15][CH2:16][CH3:17])[C:18]1=[O:19])[c:20]1[n:21][cH:22][nH:23][c:24]1[CH3:25]

Participants

4

Reactant 3

HCID 176Acetic AcidHCID 962WaterHCID 10031121HCID 10031121, compound

Product 1

HCID 15051926HCID 15051926, compound

Sources & evidence

ORD record
ord-f69060ff8bec4a5480eb367fbe979ee8
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

Loading…