Acetic Acid → HCID 46851983, compound

HRID 107046Notes

Reaction equation

HRID 107046 reaction equation
[CH3:43][C:44](=[O:45])[OH:46].[CH3:47][OH:48].[OH2:1].[OH2:2].[OH:6][CH:7]1[CH2:8][CH2:9][N:10]([C:13]([c:14]2[cH:15][c:16]([NH:20][C:21](=[O:22])[NH:23][c:24]3[cH:25][cH:26][c:27]([S:30](=[O:31])(=[O:32])[c:33]4[cH:34][cH:35][c:36]([N+:39]([O-:40])=[O:41])[cH:37][cH:38]4)[cH:28][cH:29]3)[cH:17][cH:18][cH:19]2)=[NH:42])[CH2:11][CH2:12]1.[Sn:3]([Cl:4])[Cl:5]>>[OH:6][CH:7]1[CH2:8][CH2:9][N:10]([C:13]([c:14]2[cH:15][c:16]([NH:20][C:21](=[O:22])[NH:23][c:24]3[cH:25][cH:26][c:27]([S:30](=[O:31])(=[O:32])[c:33]4[cH:34][cH:35][c:36]([NH2:39])[cH:37][cH:38]4)[cH:28][cH:29]3)[cH:17][cH:18][cH:19]2)=[NH:42])[CH2:11][CH2:12]1

Participants

6

Reactant 5

HCID 176Acetic AcidHCID 887MethanolHCID 962Water2×HCID 24479Stannous ChlorideHCID 46851822HCID 46851822, compound

Product 1

HCID 46851983HCID 46851983, compound

Sources & evidence

ORD record
ord-9bd8e789a4c546ddadaa718248220bdd
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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