Toluene → Hydrochloric Acid

HRID 1539410Notes

Reaction equation

HRID 1539410 reaction equation
[CH3:1][C:2]1=[C:22]([C:23]([O:24][CH3:25])=[O:27])[CH:12]([c:13]2[cH:14][cH:15][cH:16][c:17]([N+:18]([O-:19])=[O:20])[cH:21]2)[C:6]([C:7]([O:8][CH2:9][CH2:10][Cl:26])=[O:11])=[C:4]([CH3:5])[NH:3]1.[CH3:28][CH:29]([CH2:30][CH:31]([c:32]1[cH:33][cH:34][cH:35][cH:36][cH:37]1)[c:38]1[cH:39][cH:40][cH:41][cH:42][cH:43]1)[NH:44][CH3:45].[CH3:46][c:47]1[cH:48][cH:49][cH:50][cH:51][cH:52]1.[CH3:53][CH2:54][O:55][CH2:56][CH3:57]>>[CH3:28][CH:29]([CH2:30][CH:31]([c:32]1[cH:33][cH:34][cH:35][cH:36][cH:37]1)[c:38]1[cH:39][cH:40][cH:41][cH:42][cH:43]1)[NH:44][CH3:45].[ClH:26]

Participants

6

Reactant 4

HCID 1140TolueneHCID 3283Diethyl EtherHCID 122534N,1-Dimethyl-3,3-diphenylpropylamineHCID 30168882-Chloroethyl methyl 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)pyridine-3,5-dicarboxylate

Product 2

HCID 313Hydrochloric AcidHCID 122534N,1-Dimethyl-3,3-diphenylpropylamine

Sources & evidence

ORD record
ord-219184e8e4eb4e17b7c59cba2c60a3fb
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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