Acetic Acid → HCID 59485630, compound

HRID 1547640Notes

Reaction equation

HRID 1547640 reaction equation
[BrH:46].[CH3:47][C:48](=[O:49])[OH:50].[Cl:1][c:2]1[cH:3][cH:4][c:5]([O:6][c:7]2[cH:8][cH:9][c:10]([NH:13][CH:14]([CH2:15][NH:16][S:17]([c:18]3[cH:19][cH:20][c:21]([CH3:22])[cH:23][cH:24]3)(=[O:25])=[O:26])[c:27]3[cH:28][c:29]([C:33]([F:34])([F:35])[F:36])[cH:30][cH:31][cH:32]3)[cH:11][cH:12]2)[cH:37][cH:38]1.[OH:39][c:40]1[cH:41][cH:42][cH:43][cH:44][cH:45]1>>[Cl:1][c:2]1[cH:3][cH:4][c:5]([O:6][c:7]2[cH:8][cH:9][c:10]([NH:13][CH:14]([CH2:15][NH2:16])[c:27]3[cH:28][c:29]([C:33]([F:34])([F:35])[F:36])[cH:30][cH:31][cH:32]3)[cH:11][cH:12]2)[cH:37][cH:38]1

Participants

5

Reactant 4

HCID 176Acetic AcidHCID 260Hydrogen BromideHCID 996PhenolHCID 59485820HCID 59485820, compound

Product 1

HCID 59485630HCID 59485630, compound

Sources & evidence

ORD record
ord-6a50a4c2983047a281769a7ec77f57f8
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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