Acetic Acid → HCID 66871229, compound

HRID 110661Notes

Reaction equation

HRID 110661 reaction equation
[CH2:3]([CH3:4])[O:5][C:6](=[O:7])[C:8]12[NH:9][C:10](=[O:51])[CH:11]3[CH2:12][CH:13]([O:28][c:29]4[cH:30][c:31](-[c:42]5[n:43][c:44]([CH:48]([CH3:49])[CH3:50])[cH:45][cH:46][cH:47]5)[n:32][c:33]5[c:34]([CH3:41])[c:35]([O:39][CH3:40])[cH:36][cH:37][c:38]45)[CH2:14][CH:15]3[C:16](=[O:27])[N:17]([CH3:26])[CH2:18][CH2:19][CH2:20][CH2:21][CH:22]=[CH:23][CH:24]1[CH2:25]2.[CH2:59]1[O:60][CH2:61][CH2:62][CH2:63]1.[CH3:52][C:53](=[O:54])[OH:55].[CH3:57][OH:58].[Li+:2].[OH-:1].[OH2:56]>>[O:5]=[C:6]([OH:7])[C:8]12[NH:9][C:10](=[O:51])[CH:11]3[CH2:12][CH:13]([O:28][c:29]4[cH:30][c:31](-[c:42]5[n:43][c:44]([CH:48]([CH3:49])[CH3:50])[cH:45][cH:46][cH:47]5)[n:32][c:33]5[c:34]([CH3:41])[c:35]([O:39][CH3:40])[cH:36][cH:37][c:38]45)[CH2:14][CH:15]3[C:16](=[O:27])[N:17]([CH3:26])[CH2:18][CH2:19][CH2:20][CH2:21][CH:22]=[CH:23][CH:24]1[CH2:25]2

Participants

8

Reactant 7

HCID 176Acetic AcidHCID 887MethanolHCID 961HydroxideHCID 962WaterHCID 8028TetrahydrofuranHCID 28486Lithium ionHCID 66871634HCID 66871634, compound

Product 1

HCID 66871229HCID 66871229, compound

Sources & evidence

ORD record
ord-0ff6a83cfa2e48f196f4ba314031edf4
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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