Water → 2-Chloro-4-(5-ethyl-3,3-dimethyl-2,4-dioxopyrrolidin-1-yl)-3-methylbenzonitrile

HRID 1545281Notes

Reaction equation

HRID 1545281 reaction equation
[C:23](=[O:24])([O-:25])[O-:26].[CH2:12]([CH3:13])[CH:14]1[C:15](=[O:22])[C:16]([CH3:20])([CH3:21])[C:17](=[O:19])[NH:18]1.[Cl:1][c:2]1[c:3]([C:4]#[N:5])[cH:6][cH:7][c:8]([I:11])[c:9]1[CH3:10].[Cs+:27].[Cs+:28].[O:115]=[C:116]([CH:117]=[CH:118][c:119]1[cH:120][cH:121][cH:122][cH:123][cH:124]1)[CH:125]=[CH:126][c:127]1[cH:128][cH:129][cH:130][cH:131][cH:132]1.[O:71]1[CH2:72][CH2:73][O:74][CH2:75][CH2:76]1.[O:79]=[C:80]([CH:81]=[CH:82][c:83]1[cH:84][cH:85][cH:86][cH:87][cH:88]1)[CH:89]=[CH:90][c:91]1[cH:92][cH:93][cH:94][cH:95][cH:96]1.[O:97]=[C:98]([CH:99]=[CH:100][c:101]1[cH:102][cH:103][cH:104][cH:105][cH:106]1)[CH:107]=[CH:108][c:109]1[cH:110][cH:111][cH:112][cH:113][cH:114]1.[OH2:133].[Pd:77].[Pd:78].[c:29]1([P:30]([c:31]2[cH:32][cH:33][cH:34][cH:35][cH:36]2)[c:37]2[c:38]3[c:62]([cH:63][cH:64][cH:65]2)[C:59]([CH3:60])([CH3:61])[c:41]2[c:40]([c:45]([P:46]([c:47]4[cH:48][cH:49][cH:50][cH:51][cH:52]4)[c:53]4[cH:54][cH:55][cH:56][cH:57][cH:58]4)[cH:44][cH:43][cH:42]2)[O:39]3)[cH:66][cH:67][cH:68][cH:69][cH:70]1>>[Cl:1][c:2]1[c:3]([C:4]#[N:5])[cH:6][cH:7][c:8]([N:18]2[CH:14]([CH2:12][CH3:13])[C:15](=[O:22])[C:16]([CH3:20])([CH3:21])[C:17]2=[O:19])[c:9]1[CH3:10]

Participants

10

Reactant 9

HCID 962WaterHCID 19660Carbonate IonHCID 23938Palladium2×HCID 312751,4-DioxaneHCID 95417Dibenzylidene acetone3×HCID 104967Cesium cation2×HCID 6360441,1'-(9,9-Dimethyl-9H-xanthene-4,5-diyl)bis(1,1-diphenylphosphine)HCID 167319952-Chloro-4-iodo-3-methylbenzonitrileHCID 595570275-Ethyl-3,3-dimethylpyrrolidine-2,4-dione

Product 1

HCID 595568982-Chloro-4-(5-ethyl-3,3-dimethyl-2,4-dioxopyrrolidin-1-yl)-3-methylbenzonitrile

Sources & evidence

ORD record
ord-09a1828b64e44e00830103071f1faeb6
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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