Benzene → HCID 22762773, compound

HRID 1237825Notes

Reaction equation

HRID 1237825 reaction equation
[CH3:39][N:40]([CH3:41])[CH:42]=[O:43].[F:23][c:24]1[cH:25][cH:26][c:27]([N+:30](=[O:31])[O-:32])[cH:28][cH:29]1.[H-:19].[H:21][H:22].[Na+:20].[OH:1][C:2]([CH2:3][n:4]1[cH:5][n:6][cH:7][cH:8]1)([CH2:9][CH2:10][c:11]1[cH:12][cH:13][c:14]([Cl:17])[cH:15][cH:16]1)[CH3:18].[cH:33]1[cH:34][cH:35][cH:36][cH:37][cH:38]1>>[O:1]([C:2]([CH2:3][n:4]1[cH:5][n:6][cH:7][cH:8]1)([CH2:9][CH2:10][c:11]1[cH:12][cH:13][c:14]([Cl:17])[cH:15][cH:16]1)[CH3:18])[c:24]1[cH:25][cH:26][c:27]([N+:30](=[O:31])[O-:32])[cH:28][cH:29]1

Participants

8

Sources & evidence

ORD record
ord-46fd837d5a694118b5777ed24326be51
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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