Acetic Acid → HCID 13377055, compound

HRID 2329154Notes

Reaction equation

HRID 2329154 reaction equation
[CH3:38][C:39](=[O:40])[OH:41].[H:36][H:37].[N+:1]([O-:2])(=[O:3])[c:4]1[cH:5][cH:6][c:7]([CH2:8][N:9]2[CH2:10][CH2:11][N:12]([c:15]3[c:16]([F:33])[cH:17][c:18]4[c:19](=[O:32])[c:20]([C:29](=[O:30])[OH:31])[cH:21][n:22]5[c:27]4[c:26]3[CH2:25][CH2:24][CH:23]5[CH3:28])[CH2:13][CH2:14]2)[cH:34][cH:35]1>>[NH2:1][c:4]1[cH:5][cH:6][c:7]([CH2:8][N:9]2[CH2:10][CH2:11][N:12]([c:15]3[c:16]([F:33])[cH:17][c:18]4[c:19](=[O:32])[c:20]([C:29](=[O:30])[OH:31])[cH:21][n:22]5[c:27]4[c:26]3[CH2:25][CH2:24][CH:23]5[CH3:28])[CH2:13][CH2:14]2)[cH:34][cH:35]1

Participants

4

Reactant 3

HCID 176Acetic AcidHCID 13377054HCID 13377054, compoundHCID 178418361HCID 178418361, compound

Product 1

HCID 13377055HCID 13377055, compound

Sources & evidence

ORD record
ord-b40dbda9126d4f19a955822d6cc75afa
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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