Dichloromethane → Oct-4-enedioic acid

HRID 156075Notes

Reaction equation

HRID 156075 reaction equation
[C:1]([CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][C:8](=[O:9])[OH:10])(=[O:11])[OH:12].[CH:13]([N:14]([CH:15]([CH3:16])[CH3:17])[CH2:18][CH2:19][CH:20]([c:21]1[cH:22][c:23]([CH2:24][OH:25])[cH:26][cH:27][c:28]1[OH:29])[c:30]1[cH:31][cH:32][cH:33][cH:34][cH:35]1)([CH3:36])[CH3:37].[CH:38]([N:39]([CH:40]([CH3:41])[CH3:42])[CH2:43][CH2:44][CH:45]([c:46]1[cH:47][c:48]([CH2:49][O:50][C:51](=[O:52])[CH2:53][CH2:54][CH:55]=[CH2:56])[cH:57][cH:58][c:59]1[O:60][C:61](=[O:62])[CH2:63][CH2:64][CH:65]=[CH2:66])[c:67]1[cH:68][cH:69][cH:70][cH:71][cH:72]1)([CH3:73])[CH3:74].[Cl:75][CH2:76][Cl:77]>>[C:1]([CH2:2][CH2:3][CH:4]=[CH:5][CH2:6][CH2:7][C:8](=[O:9])[OH:10])(=[O:11])[OH:12]

Participants

5

Reactant 4

HCID 6344DichloromethaneHCID 10457Suberic acidHCID 99279712-(3-(Di(propan-2-yl)amino)-1-phenylpropyl)-4-(hydroxymethyl)phenolHCID 17874072(+/-)-Pent-4-enoic acid 2-(3-diisopropylamino-1-phenylpropyl)-4-(pent-4-enoyloxymethyl)phenyl ester

Product 1

HCID 84313Oct-4-enedioic acid

Sources & evidence

ORD record
ord-86ea314e1cb54c8e98f89e890b7eb35e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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