Acetic Acid → HCID 178491694, compound

HRID 2154055Notes

Reaction equation

HRID 2154055 reaction equation
[CH2:45]([CH:46]([CH3:47])[CH3:48])[NH:49][NH2:50].[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([CH2:7][S:8][CH:9]2[CH2:10][CH:11]([C:27](=[O:28])[OH:29])[N:12]([S:14](=[O:15])(=[O:16])[c:17]3[cH:18][c:19]4[cH:20][cH:21][cH:22][cH:23][c:24]4[cH:25][cH:26]3)[CH2:13]2)[cH:30][cH:31]1.[CH3:51][C:52](=[O:53])[OH:54].[Cl:55][CH2:56][Cl:57].[Na+:63].[O-:59][C:60]([OH:61])=[O:62].[OH2:58].[OH:32][n:33]1[cH:34][cH:35][cH:36][cH:37][c:38]1=[O:39].[S:40]([OH:41])([OH:42])(=[O:43])=[O:44]>>[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([CH2:7][S:8][CH:9]2[CH2:10][CH:11]([C:27](=[O:29])[NH:50][NH:49][CH2:45][CH:46]([CH3:47])[CH3:48])[N:12]([S:14](=[O:15])(=[O:16])[c:17]3[cH:18][c:19]4[cH:20][cH:21][cH:22][cH:23][c:24]4[cH:25][cH:26]3)[CH2:13]2)[cH:30][cH:31]1

Participants

10

Reactant 9

HCID 176Acetic AcidHCID 769Bicarbonate IonHCID 923Sodium ionHCID 962WaterHCID 1118Sulfuric AcidHCID 6344DichloromethaneHCID 69975HydroxypyridinoneHCID 542420IsobutylhydrazineHCID 22671569HCID 22671569, compound

Product 1

HCID 178491694HCID 178491694, compound

Sources & evidence

ORD record
ord-de869ab756114bc0a98f71f61bb48ec7
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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