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Isopropanol → 3-(3-Chloro-2-cyanophenyl)prop-2-enoic acid

HRID 1211634
Notes
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Reaction equation

HRID 1211634 reaction equation
[Br:1][c:2]1[c:3]([C:13]#[N:14])[c:4]([CH:8]=[CH:9][C:10](=[O:11])[OH:12])[cH:5][cH:6][cH:7]1.[C:15]([c:16]1[c:17]([O:18][CH3:19])[cH:20][cH:21][cH:22][c:23]1[CH:24]=[CH:25][C:26]([OH:27])=[O:28])#[N:29].[C:30]([c:31]1[cH:32][cH:33][c:34]([CH:35]=[CH:36][C:37]([OH:38])=[O:39])[cH:40][cH:41]1)#[N:42].[C:57]([c:58]1[cH:59][c:60]([F:61])[cH:62][cH:63][c:64]1[CH:65]=[CH:66][C:67]([OH:68])=[O:69])#[N:70].[CH2:71]1[CH2:72][CH2:73][CH2:74][CH2:75][CH2:76]1.[CH:77]([OH:78])([CH3:79])[CH3:80].[Cl:43][c:44]1[cH:45][cH:46][c:47]([C:48]#[N:49])[c:50]([CH:51]=[CH:52][C:53]([OH:54])=[O:55])[cH:56]1>>[c:2]1([Cl:43])[c:3]([C:13]#[N:14])[c:4]([CH:8]=[CH:9][C:10](=[O:11])[OH:12])[cH:5][cH:6][cH:7]1
ParticipantsSources & evidenceReaction notes

Participants

8

Reactant 7

HCID 3776IsopropanolHCID 8078CyclohexaneHCID 86773p-Cyanocinnamic acidHCID 537599043-(5-Chloro-2-cyanophenyl)prop-2-enoic acidHCID 541540383-(2-Cyano-3-methoxyphenyl)prop-2-enoic acidHCID 541644163-(3-Bromo-2-cyanophenyl)prop-2-enoic acid
HCID 54279847
2-Cyano-4-fluorocinnamic acid

Product 1

HCID 543619723-(3-Chloro-2-cyanophenyl)prop-2-enoic acid

Sources & evidence

ORD record
ord-1f1a1a4419dc4637b8bcb5d591334374
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI
10.1039/C8SC04228D

Reaction notes

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On this pageParticipantsSources & evidenceReaction notes