Acetic Acid → HCID 19070843, compound

HRID 1145226Notes

Reaction equation

HRID 1145226 reaction equation
[BrH:1].[CH2:55]1[O:56][CH2:57][CH2:58][CH2:59]1.[CH3:31][CH2:32][N:33]([CH2:34][CH3:35])[CH2:36][CH3:37].[CH3:68][C:69](=[O:70])[OH:71].[CH:44]1([CH2:50][CH2:51][C:52]([OH:53])=[O:54])[CH2:45][CH2:46][CH2:47][CH2:48][CH2:49]1.[Cl:38][C:39]([C:40]([Cl:41])=[O:42])=[O:43].[Cl:65][CH2:66][Cl:67].[O:60]=[CH:61][N:62]([CH3:63])[CH3:64].[c:2]1([C:8]2=[N:9][CH:10]([NH:20][C:21]([O:22][CH2:24][c:25]3[cH:26][cH:27][cH:28][cH:29][cH:30]3)=[O:23])[C:11](=[S:19])[NH:12][c:13]3[c:14]2[cH:15][cH:16][cH:17][cH:18]3)[cH:3][cH:4][cH:5][cH:6][cH:7]1>>[c:2]1([C:8]2=[N:9][CH:10]([NH:20][C:21](=[O:22])[CH2:51][CH2:50][CH:44]3[CH2:45][CH2:46][CH2:47][CH2:48][CH2:49]3)[C:11](=[S:19])[NH:12][c:13]3[c:14]2[cH:15][cH:16][cH:17][cH:18]3)[cH:3][cH:4][cH:5][cH:6][cH:7]1

Participants

10

Reactant 9

HCID 176Acetic AcidHCID 260Hydrogen BromideHCID 6228DimethylformamideHCID 6344DichloromethaneHCID 8028TetrahydrofuranHCID 8471TriethylamineHCID 65578Oxalyl chlorideHCID 69702Cyclohexanepropanoic acidHCID 13953700HCID 13953700, compound

Product 1

HCID 19070843HCID 19070843, compound

Sources & evidence

ORD record
ord-1dbe18ad61354e5eba0f1b9304c554dc
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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