Acetic Acid → HCID 178465684, compound

HRID 156770Notes

Reaction equation

HRID 156770 reaction equation
[CH3:44][C:45](=[O:46])[OH:47].[CH3:48][OH:49].[Cl:1][c:2]1[cH:3][cH:4][c:5]([S:8](=[O:9])(=[O:10])[N:11]2[CH2:12][CH:13]([NH:17][c:18]3[n:19][cH:20][cH:21][c:22](-[c:24]4[c:25](-[c:32]5[cH:33][c:34]([C:38]([CH3:39])=[O:40])[cH:35][cH:36][cH:37]5)[n:26][c:27]5[s:28][cH:29][cH:30][n:31]45)[n:23]3)[CH2:14][CH2:15][CH2:16]2)[cH:6][cH:7]1.[Cl:50][CH2:51][Cl:52].[ClH:41].[NH2:42][OH:43]>>[Cl:1][c:2]1[cH:3][cH:4][c:5]([S:8](=[O:9])(=[O:10])[N:11]2[CH2:12][CH:13]([NH:17][c:18]3[n:19][cH:20][cH:21][c:22](-[c:24]4[c:25](-[c:32]5[cH:33][c:34]([C:38]([CH3:39])=[N:42][OH:43])[cH:35][cH:36][cH:37]5)[n:26][c:27]5[s:28][cH:29][cH:30][n:31]45)[n:23]3)[CH2:14][CH2:15][CH2:16]2)[cH:6][cH:7]1

Participants

7

Reactant 6

HCID 176Acetic AcidHCID 313Hydrochloric AcidHCID 787HydroxylamineHCID 887MethanolHCID 6344DichloromethaneHCID 178466244HCID 178466244, compound

Product 1

HCID 178465684HCID 178465684, compound

Sources & evidence

ORD record
ord-658c35ce74b34ad38c4124ab94923289
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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