Toluene → Hydrochloric Acid

HRID 159983Notes

Reaction equation

HRID 159983 reaction equation
[CH3:35][c:36]1[cH:37][cH:38][cH:39][cH:40][cH:41]1.[CH3:42][CH2:43][O:44][C:45](=[O:46])[CH3:47].[CH:1]([CH3:2])([CH3:3])[c:4]1[c:5]([NH:13][C:14]([CH2:15][S:16](=[O:17])(=[O:18])[CH2:19][CH2:20][Cl:21])=[O:22])[c:6]([CH:10]([CH3:11])[CH3:12])[cH:7][cH:8][cH:9]1.[c:23]1([N:29]2[CH2:30][CH2:31][NH:32][CH2:33][CH2:34]2)[cH:24][cH:25][cH:26][cH:27][cH:28]1>>[CH:1]([CH3:2])([CH3:3])[c:4]1[c:5]([NH:13][C:14]([CH2:15][S:16](=[O:17])(=[O:18])[CH2:19][CH2:20][N:32]2[CH2:31][CH2:30][N:29]([c:23]3[cH:24][cH:25][cH:26][cH:27][cH:28]3)[CH2:34][CH2:33]2)=[O:22])[c:6]([CH:10]([CH3:11])[CH3:12])[cH:7][cH:8][cH:9]1.[ClH:21]

Participants

6

Reactant 4

HCID 1140TolueneHCID 70961-PhenylpiperazineHCID 8857Ethyl AcetateHCID 19937765N-(2,6-diisopropylphenyl)-2(2-chloroethylsulfonyl)acetamide

Product 2

HCID 313Hydrochloric AcidHCID 19937768N-(2,6-Diisopropylphenyl)-2-[2-(4-phenylpiperazinyl)ethylsulfonyl]acetamide

Sources & evidence

ORD record
ord-0d2b0c6060c2444780d292939847568b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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