4-Nitrophenol → HCID 69374630, compound

HRID 1228920Notes

Reaction equation

HRID 1228920 reaction equation
[CH3:1][S:2](=[O:3])(=[O:4])[C:5]([CH3:6])([CH3:7])[c:8]1[cH:9][c:10]2[cH:11][cH:12][cH:13][n:14][c:15]2[c:16](-[c:18]2[cH:19][c:20](-[c:24]3[cH:25][cH:26][c:27]([CH:30]=[CH:31][C:32](=[O:33])[OH:34])[cH:28][cH:29]3)[cH:21][cH:22][cH:23]2)[cH:17]1.[CH3:45][CH2:46][O:47][CH2:48][CH3:49].[N+:35](=[O:36])([O-:37])[c:38]1[cH:39][cH:40][c:41]([OH:44])[cH:42][cH:43]1>>[CH3:1][S:2](=[O:3])(=[O:4])[C:5]([CH3:6])([CH3:7])[c:8]1[cH:9][c:10]2[cH:11][cH:12][cH:13][n:14][c:15]2[c:16](-[c:18]2[cH:19][c:20](-[c:24]3[cH:25][cH:26][c:27]([CH:30]=[CH:31][C:32]([O:33][c:41]4[cH:40][cH:39][c:38]([N+:35](=[O:36])[O-:37])[cH:43][cH:42]4)=[O:34])[cH:28][cH:29]3)[cH:21][cH:22][cH:23]2)[cH:17]1

Participants

4

Reactant 3

HCID 9804-NitrophenolHCID 3283Diethyl EtherHCID 69374060HCID 69374060, compound

Product 1

HCID 69374630HCID 69374630, compound

Sources & evidence

ORD record
ord-8eda984d8cda4647943bd15dc3789c96
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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