Hydrochloric Acid → Ncx-701

HRID 679189Notes

Reaction equation

HRID 679189 reaction equation
[C:1]([CH3:2])(=[O:3])[NH:4][c:5]1[cH:6][cH:7][c:8]([OH:11])[cH:9][cH:10]1.[CH2:46]1[O:47][CH2:48][CH2:49][CH2:50]1.[CH3:34][N:35]([c:36]1[cH:37][cH:38][n:39][cH:40][cH:41]1)[CH3:42].[Cl:43][CH2:44][Cl:45].[Cl:51][CH2:52][Cl:53].[ClH:33].[F:12][c:13]1[c:14]([O:19][C:20](=[O:15])[CH2:21][CH2:22][CH2:23][O:24][N+:25](=[O:26])[O-:27])[c:16]([F:17])[c:18]([F:28])[c:29]([F:30])[c:31]1[F:32]>>[C:1]([CH3:2])(=[O:3])[NH:4][c:5]1[cH:6][cH:7][c:8]([O:11][C:20](=[O:19])[CH2:21][CH2:22][CH2:23][O:24][N+:25](=[O:26])[O-:27])[cH:9][cH:10]1

Participants

7

Reactant 6

HCID 313Hydrochloric AcidHCID 1983AcetaminophenHCID 6344Dichloromethane2×HCID 8028TetrahydrofuranHCID 142844-(Dimethylamino)pyridineHCID 11522541Perfluorophenyl 4-(nitrooxy)butanoate

Product 1

HCID 6918532Ncx-701

Sources & evidence

ORD record
ord-6350d8d3e1f547f7aa7a099b260d1f80
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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