Acetic Acid → HCID 178476386, compound

HRID 1115363Notes

Reaction equation

HRID 1115363 reaction equation
[C:47]([CH3:48])(=[O:49])[OH:50].[CH3:1][c:2]1[c:3]([O:4][CH2:5][CH:6]([CH2:7][NH:8][c:9]2[c:10](-[c:16]3[n:17][c:18]4[cH:19][c:20]5[c:24]([cH:25][c:26]4[nH:27]3)[C:23](=[O:28])[N:22]([CH:29]3[CH2:30][CH2:31][N:32]([CH2:35][CH2:36][S:37](=[O:38])(=[O:39])[CH3:40])[CH2:33][CH2:34]3)[CH2:21]5)[c:11](=[O:15])[nH:12][cH:13][cH:14]2)[OH:41])[cH:42][cH:43][c:44]([CH3:46])[cH:45]1>>[CH3:1][c:2]1[c:3]([O:4][CH2:5][CH:6]([CH2:7][NH:8][c:9]2[c:10](-[c:16]3[n:17][c:18]4[cH:19][c:20]5[c:24]([cH:25][c:26]4[nH:27]3)[C:23](=[O:28])[N:22]([CH:29]3[CH2:30][CH2:31][N:32]([CH2:35][CH2:36][S:37](=[O:38])(=[O:39])[CH3:40])[CH2:33][CH2:34]3)[CH2:21]5)[c:11](=[O:15])[nH:12][cH:13][cH:14]2)[O:41][C:47]([CH3:48])=[O:49])[cH:42][cH:43][c:44]([CH3:46])[cH:45]1

Participants

3

Reactant 2

HCID 176Acetic AcidHCID 178426876HCID 178426876, compound

Product 1

HCID 178476386HCID 178476386, compound

Sources & evidence

ORD record
ord-dd6824f026824df9b55d63c591128405
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

Loading…