Acetate → Acetate

HRID 2324291Notes

Reaction equation

HRID 2324291 reaction equation
[CH3:21][O:22][O:23][CH3:24].[CH3:25][C:26]([O-:27])=[O:28].[CH3:29][CH2:30][O:31][C:32](=[O:33])[CH3:34].[CH3:35][C:36](=[O:37])[OH:38].[CH3:39][CH2:40][CH2:41][CH2:42][CH2:43][CH3:44].[CH3:46][CH2:47][O:48][CH2:49][CH3:50].[CH3:62][c:63]1[cH:64][cH:65][cH:66][cH:67][cH:68]1.[CH3:75][CH2:76][CH2:77][CH2:78][CH3:79].[CH:1]1([c:13]2[cH:14][cH:15][c:16]([Cl:17])[c:18]([Cl:19])[cH:20]2)[CH2:2][CH2:3][CH:4]([NH:5][CH3:6])[c:7]2[cH:8][cH:9][cH:10][cH:11][c:12]21.[O:51]1[CH2:52][CH2:53][CH2:54][CH2:55]1.[O:56]1[CH2:57][CH2:58][O:59][CH2:60][CH2:61]1.[OH2:45].[cH:69]1[cH:70][cH:71][cH:72][cH:73][cH:74]1>>[CH3:25][C:26](=[O:27])[O-:28].[CH:1]1([c:13]2[cH:14][cH:15][c:16]([Cl:17])[c:18]([Cl:19])[cH:20]2)[CH2:2][CH2:3][CH:4]([NH:5][CH3:6])[c:7]2[cH:8][cH:9][cH:10][cH:11][c:12]21

Participants

15

Reactant 13

HCID 175AcetateHCID 176Acetic AcidHCID 241BenzeneHCID 962WaterHCID 1140TolueneHCID 3283Diethyl EtherHCID 52034-(3,4-Dichlorophenyl)-1,2,3,4-tetrahydro-N-methyl-1-naphthalenamineHCID 8003PentaneHCID 8028TetrahydrofuranHCID 8058HexaneHCID 8857Ethyl AcetateHCID 312751,4-DioxaneHCID 136492Dimethyl peroxide

Product 2

HCID 175AcetateHCID 52034-(3,4-Dichlorophenyl)-1,2,3,4-tetrahydro-N-methyl-1-naphthalenamine

Sources & evidence

ORD record
ord-ee70e568aa314bfb9b286e43e9c8d45e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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