Benzene → HCID 54453697, compound

HRID 105122Notes

Reaction equation

HRID 105122 reaction equation
[CH2:16]([c:17]1[cH:18][cH:19][cH:20][cH:21][cH:22]1)[O:23][NH2:24].[CH2:37]1[CH2:38][CH2:39][CH2:40][CH2:41][CH2:42]1.[CH3:31][CH2:32][OH:33].[CH3:35][OH:36].[ClH:15].[ClH:30].[N+:27](=[CH2:28])=[N-:29].[Na+:26].[OH-:25].[OH2:34].[cH:43]1[cH:44][cH:45][cH:46][cH:47][cH:48]1.[s:1]1[c:2]2[c:3]([c:4]([C:6]([C:7](=[O:8])[OH:9])=[O:10])[cH:5]1)[cH:11][cH:12][cH:13][cH:14]2>>[s:1]1[c:2]2[c:3]([c:4]([C:6]([C:7](=[O:8])[OH:9])=[N:24][O:23][CH2:16][c:17]3[cH:18][cH:19][cH:20][cH:21][cH:22]3)[cH:5]1)[cH:11][cH:12][cH:13][cH:14]2

Participants

12

Reactant 11

HCID 241BenzeneHCID 313Hydrochloric Acid2×HCID 702EthanolHCID 887MethanolHCID 923Sodium ionHCID 961HydroxideHCID 962WaterHCID 8078CyclohexaneHCID 9550DiazomethaneHCID 102313O-BenzylhydroxylamineHCID 20325781HCID 20325781, compound

Product 1

HCID 54453697HCID 54453697, compound

Sources & evidence

ORD record
ord-56d0e191fe90415b87a51ebd4124835a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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