Acetic Acid → HCID 21428880, compound

HRID 292339Notes

Reaction equation

HRID 292339 reaction equation
[CH3:37][C:38](=[O:39])[OH:40].[Cl:1][c:2]1[c:3]([N+:32]([O-:33])=[O:34])[cH:4][c:5]([O:30][CH3:31])[c:6]([C:7](=[O:8])[NH:9][CH2:10][CH2:11][N:12]2[CH2:13][CH2:14][C:15]3([C:16](=[O:26])[NH:17][CH2:18][N:19]3[c:20]3[cH:21][cH:22][cH:23][cH:24][cH:25]3)[CH2:27][CH2:28]2)[cH:29]1.[H:35][H:36]>>[Cl:1][c:2]1[c:3]([NH2:32])[cH:4][c:5]([O:30][CH3:31])[c:6]([C:7](=[O:8])[NH:9][CH2:10][CH2:11][N:12]2[CH2:13][CH2:14][C:15]3([C:16](=[O:26])[NH:17][CH2:18][N:19]3[c:20]3[cH:21][cH:22][cH:23][cH:24][cH:25]3)[CH2:27][CH2:28]2)[cH:29]1

Participants

4

Reactant 3

HCID 176Acetic AcidHCID 21428943HCID 21428943, compoundHCID 178418361HCID 178418361, compound

Product 1

HCID 21428880HCID 21428880, compound

Sources & evidence

ORD record
ord-fbcdb4b9a10341fbad9f7d85ef857c2e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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