Acetic Acid → HCID 56638271, compound

HRID 194780Notes

Reaction equation

HRID 194780 reaction equation
[CH3:29][O:30][C:31]([c:32]1[cH:33][cH:34][c:35]2[n:36]([cH:37]1)[c:38](=[O:39])[c:40]1[c:53]([n:54]2)[C:44](=[CH:45][c:46]2[cH:47][cH:48][c:49]([NH2:50])[cH:51][cH:52]2)[CH2:43][CH2:42][CH2:41]1)=[O:55].[CH3:57][C:58](=[O:59])[OH:60].[ClH:56].[N+:1]([O-:2])(=[O:3])[c:4]1[cH:5][cH:6][c:7]([CH:8]=[C:9]2[CH2:10][CH2:11][CH2:12][c:13]3[c:14](=[O:26])[n:15]4[c:16]([n:17][c:18]32)[cH:19][cH:20][c:21]([C:23](=[O:24])[OH:25])[cH:22]4)[cH:27][cH:28]1>>[NH2:1][c:4]1[cH:5][cH:6][c:7]([CH:8]=[C:9]2[CH2:10][CH2:11][CH2:12][c:13]3[c:14](=[O:26])[n:15]4[c:16]([n:17][c:18]32)[cH:19][cH:20][c:21]([C:23](=[O:24])[OH:25])[cH:22]4)[cH:27][cH:28]1

Participants

5

Reactant 4

HCID 176Acetic AcidHCID 313Hydrochloric AcidHCID 53983080HCID 53983080, compoundHCID 53988664HCID 53988664, compound

Product 1

HCID 56638271HCID 56638271, compound

Sources & evidence

ORD record
ord-ff5bcdab5c684e93b17b27f247b47018
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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