Acetic Acid → HCID 67305145, compound

HRID 2153973Notes

Reaction equation

HRID 2153973 reaction equation
[CH3:38][OH:39].[CH3:46][C:47](=[O:48])[OH:49].[CH:3]1([CH2:6][O:7][CH:8]([C:9](=[O:10])[O:11][CH3:12])[CH2:13][c:14]2[cH:15][cH:16][c:17](-[c:20]3[cH:21][c:22]([N:26]([C:27](=[O:28])[NH:29][CH2:30][CH2:31][CH2:32][CH2:33][CH2:34][CH2:35][CH3:36])[CH3:37])[cH:23][cH:24][cH:25]3)[cH:18][cH:19]2)[CH2:4][CH2:5]1.[Na+:2].[O:40]1[CH2:41][CH2:42][CH2:43][CH2:44]1.[OH-:1].[OH2:45]>>[CH:3]1([CH2:6][O:7][CH:8]([C:9](=[O:10])[OH:11])[CH2:13][c:14]2[cH:15][cH:16][c:17](-[c:20]3[cH:21][c:22]([N:26]([C:27](=[O:28])[NH:29][CH2:30][CH2:31][CH2:32][CH2:33][CH2:34][CH2:35][CH3:36])[CH3:37])[cH:23][cH:24][cH:25]3)[cH:18][cH:19]2)[CH2:4][CH2:5]1

Participants

8

Reactant 7

HCID 176Acetic AcidHCID 887MethanolHCID 923Sodium ionHCID 961HydroxideHCID 962WaterHCID 8028TetrahydrofuranHCID 77263197HCID 77263197, compound

Product 1

HCID 67305145HCID 67305145, compound

Sources & evidence

ORD record
ord-75cbb032c6ac4b16990d9cc93b3fffdd
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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