Chloride → Ethylene

HRID 2153716Notes

Reaction equation

HRID 2153716 reaction equation
[Al:23].[CH2:18]=[CH:19][CH3:20].[CH2:1]=[CH:2][CH2:3][CH3:4].[CH2:21]=[CH2:22].[CH2:5]([CH:6]([CH3:16])[CH3:17])[Al:7]([CH2:8][CH:9]([CH3:10])[CH3:11])[CH2:12][CH:13]([CH3:14])[CH3:15].[CH3:71][OH:72].[CH3:73][c:74]1[cH:75][cH:76][cH:77][cH:78][cH:79]1.[CH3:80][CH2:81][CH2:82][CH2:83][CH2:84][CH3:85].[Cl-:24].[Cl-:25].[c:26]1([C:27](=[Zr+2:28]([C:29]2=[CH:38][C:33]([C:34]([CH3:35])([CH3:36])[CH3:37])=[CH:32][CH:30]2[CH3:31])[c:39]2[c:40]3[c:52]([cH:53][cH:54][c:55]2[C:56]([CH3:57])([CH3:58])[CH3:59])-[c:43]2[c:42]([cH:51][c:46]([C:47]([CH3:48])([CH3:49])[CH3:50])[cH:45][cH:44]2)[CH2:41]3)[c:60]2[cH:61][cH:62][cH:63][cH:64][cH:65]2)[cH:66][cH:67][cH:68][cH:69][cH:70]1>>[CH2:18]=[CH:19][CH3:20].[CH2:1]=[CH:2][CH2:3][CH3:4].[CH2:5]=[CH2:6]

Participants

13

Reactant 10

HCID 312Chloride2×HCID 887MethanolHCID 1140TolueneHCID 6325EthyleneHCID 78441-ButeneHCID 8058HexaneHCID 8252PropyleneHCID 5359268AluminumHCID 16682931TriisobutylaluminumHCID 178424920HCID 178424920, compound

Product 3

HCID 6325EthyleneHCID 78441-ButeneHCID 8252Propylene

Sources & evidence

ORD record
ord-5ca4961a09e447fbb4bfec5bcb57d127
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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