Acetic Acid → HCID 178496344, compound

HRID 138144Notes

Reaction equation

HRID 138144 reaction equation
[CH3:1][O:2][CH2:3][CH2:4][O:5][C:6](=[O:7])[NH:8][CH:9]1[CH2:10][N:11]([c:14]2[c:15]([F:41])[cH:16][c:17]([N:20]3[C:21](=[O:40])[O:22][CH:23]([CH2:25][N:26]([C:27]([O:28][CH2:29][C:30]([Cl:31])([Cl:32])[Cl:33])=[O:34])[c:35]4[n:36][o:37][cH:38][cH:39]4)[CH2:24]3)[cH:18][cH:19]2)[CH2:12][CH2:13]1.[CH3:42][C:43](=[O:44])[OH:45].[OH2:46].[Zn:47]>>[CH3:1][O:2][CH2:3][CH2:4][O:5][C:6](=[O:7])[NH:8][CH:9]1[CH2:10][N:11]([c:14]2[c:15]([F:41])[cH:16][c:17]([N:20]3[C:21](=[O:40])[O:22][CH:23]([CH2:25][NH:26][c:35]4[n:36][o:37][cH:38][cH:39]4)[CH2:24]3)[cH:18][cH:19]2)[CH2:12][CH2:13]1

Participants

5

Reactant 4

HCID 176Acetic AcidHCID 962WaterHCID 23994ZincHCID 178496345HCID 178496345, compound

Product 1

HCID 178496344HCID 178496344, compound

Sources & evidence

ORD record
ord-00d4df52195d46e79af282d54b8f4245
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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