Acetic Acid → HCID 178525065, compound

HRID 1217509Notes

Reaction equation

HRID 1217509 reaction equation
[C:61]([OH:62])(=[O:63])[CH3:64].[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][C:9]([CH:10]([NH:11][C:12]([CH:13]([CH2:14][c:15]1[n:16][cH:17][n:18]([C:20]([c:21]2[cH:22][cH:23][cH:24][cH:25][cH:26]2)([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)[cH:19]1)[c:39]1[cH:40][c:41]2[c:42]([cH:43][cH:44]1)[O:45][CH2:46][O:47]2)=[O:48])[CH2:49][c:50]1[cH:51][nH:52][c:53]2[cH:54][cH:55][cH:56][cH:57][c:58]12)=[O:59].[OH2:60].[OH2:65]>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][C:9]([CH:10]([NH:11][C:12]([CH:13]([CH2:14][c:15]1[n:16][cH:17][nH:18][cH:19]1)[c:39]1[cH:40][c:41]2[c:42]([cH:43][cH:44]1)[O:45][CH2:46][O:47]2)=[O:48])[CH2:49][c:50]1[cH:51][nH:52][c:53]2[cH:54][cH:55][cH:56][cH:57][c:58]12)=[O:59]

Participants

4

Reactant 3

HCID 176Acetic AcidHCID 962Water2×HCID 178525064HCID 178525064, compound

Product 1

HCID 178525065HCID 178525065, compound

Sources & evidence

ORD record
ord-670355abe0e544e394e7344296951510
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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