Toluene → Hydrochloric Acid

HRID 2141128Notes

Reaction equation

HRID 2141128 reaction equation
[CH2:22]([CH3:23])[NH:24][CH2:25][CH3:26].[CH3:27][c:28]1[cH:29][cH:30][cH:31][cH:32][cH:33]1.[Cl:1][CH2:2][c:3]1[n:4][c:5]([CH2:8][n:9]2[cH:10][n:11][c:12]3[n:13]([CH3:21])[c:14](=[O:20])[n:15]([CH3:16])[c:17](=[O:19])[c:18]23)[n:6][o:7]1>>[CH2:2]([c:3]1[n:4][c:5]([CH2:8][n:9]2[cH:10][n:11][c:12]3[n:13]([CH3:21])[c:14](=[O:20])[n:15]([CH3:16])[c:17](=[O:19])[c:18]23)[n:6][o:7]1)[N:24]([CH2:22][CH3:23])[CH2:25][CH3:26].[ClH:1]

Participants

5

Reactant 3

HCID 1140TolueneHCID 8021DiethylamineHCID 202498997-[(5-Chloromethyl-1,2,4-oxadiazol-3-yl)-methyl]-theophylline

Product 2

HCID 313Hydrochloric AcidHCID 202499057-[(5-Diethylaminomethyl-1,2,4-oxadiazol-3-yl)-methyl]-theophylline

Sources & evidence

ORD record
ord-2749c1189811465db22afc5ae8d9f228
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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