Acetic Acid → HCID 178443850, compound

HRID 1128284Notes

Reaction equation

HRID 1128284 reaction equation
[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([N:9]([CH:7]([c:8]2[cH:45][cH:46][cH:47][cH:48][cH:49]2)[c:50]2[cH:51][cH:52][cH:53][cH:54][cH:55]2)[c:10]2[c:11]3[c:12]([n:13][cH:14][n:15]2)[n:16]([CH:19]2[C:20]([OH:21])([CH3:44])[CH:22]([O:23][C:24]([CH2:25][CH2:26][CH2:27][CH2:28][CH2:29][CH2:30][CH3:31])=[O:32])[CH:33]([CH2:35][O:36][Si:37]([CH3:38])([CH3:39])[C:40]([CH3:41])([CH3:42])[CH3:43])[O:34]2)[cH:17][cH:18]3)[cH:56][cH:57]1.[CH3:58][OH:59].[CH3:60][C:61](=[O:62])[OH:63].[OH2:64]>>[NH2:9][c:10]1[c:11]2[c:12]([n:13][cH:14][n:15]1)[n:16]([CH:19]1[C:20]([OH:21])([CH3:44])[CH:22]([O:23][C:24]([CH2:25][CH2:26][CH2:27][CH2:28][CH2:29][CH2:30][CH3:31])=[O:32])[CH:33]([CH2:35][O:36][Si:37]([CH3:38])([CH3:39])[C:40]([CH3:41])([CH3:42])[CH3:43])[O:34]1)[cH:17][cH:18]2

Participants

5

Reactant 4

HCID 176Acetic AcidHCID 887MethanolHCID 962WaterHCID 178443849HCID 178443849, compound

Product 1

HCID 178443850HCID 178443850, compound

Sources & evidence

ORD record
ord-5d33071540ec4425a9776cf9049c9ef7
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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