Acetaminophen → HCID 18348668, compound

HRID 196149Notes

Reaction equation

HRID 196149 reaction equation
[CH2:63]1[O:64][CH2:65][CH2:66][CH2:67]1.[O:51]=[C:52]([O:53][CH2:54][CH3:55])[N:56]=[N:57][C:58]([O:59][CH2:60][CH3:61])=[O:62].[OH:1][CH2:2][CH2:3][CH:4]1[CH2:5][CH2:6][C:7]2=[C:8]([CH2:9][CH2:10]1)[C:11](=[O:20])[C:12]([O:18][CH3:19])=[C:13]([O:16][CH3:17])[C:14]2=[O:15].[OH:21][c:22]1[cH:23][cH:24][c:25]([NH:26][C:27]([CH3:28])=[O:29])[cH:30][cH:31]1.[c:32]1([P:33]([c:34]2[cH:35][cH:36][cH:37][cH:38][cH:39]2)[c:40]2[cH:41][cH:42][cH:43][cH:44][cH:45]2)[cH:46][cH:47][cH:48][cH:49][cH:50]1>>[O:1]([CH2:2][CH2:3][CH:4]1[CH2:5][CH2:6][C:7]2=[C:8]([CH2:9][CH2:10]1)[C:11](=[O:20])[C:12]([O:18][CH3:19])=[C:13]([O:16][CH3:17])[C:14]2=[O:15])[c:22]1[cH:23][cH:24][c:25]([NH:26][C:27]([CH3:28])=[O:29])[cH:30][cH:31]1

Participants

6

Reactant 5

HCID 1983AcetaminophenHCID 8028TetrahydrofuranHCID 11776TriphenylphosphineHCID 220568ethyl N-ethoxycarbonyliminocarbamateHCID 183485737-(2-Hydroxyethyl)-2,3-dimethoxy-4,5,6,7,8,9-hexahydro-1H-benzo[a]cycloheptene-1,4-dione

Product 1

HCID 18348668HCID 18348668, compound

Sources & evidence

ORD record
ord-5deb6f7c23064db8889a196975bf6f4d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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