Acetic Acid → HCID 13280058, compound

HRID 680143Notes

Reaction equation

HRID 680143 reaction equation
[CH3:33][C:34](=[O:35])[OH:36].[H:31][H:32].[N+:1]([O-:2])(=[O:3])[c:4]1[cH:5][cH:6][c:7]([S:10](=[O:11])(=[O:12])[NH:13][c:14]2[c:15]([C:16](=[O:17])[NH:18][CH2:19][CH2:20][CH2:21][n:22]3[cH:23][n:24][cH:25][cH:26]3)[cH:27][cH:28][cH:29][cH:30]2)[cH:8][cH:9]1>>[NH2:1][c:4]1[cH:5][cH:6][c:7]([S:10](=[O:11])(=[O:12])[NH:13][c:14]2[c:15]([C:16](=[O:17])[NH:18][CH2:19][CH2:20][CH2:21][n:22]3[cH:23][n:24][cH:25][cH:26]3)[cH:27][cH:28][cH:29][cH:30]2)[cH:8][cH:9]1

Participants

4

Reactant 3

HCID 176Acetic AcidHCID 13280056HCID 13280056, compoundHCID 178418361HCID 178418361, compound

Product 1

HCID 13280058HCID 13280058, compound

Sources & evidence

ORD record
ord-719c1fa4e40d40158e535648be258237
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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