Acetate → 4-[4,4-Dimethyl-2,5-dioxo-3-(2-phenylaminobenzyl)imidazolidin-1-yl]-2-trifluoromethylbenzonitrile

HRID 1146603Notes

Reaction equation

HRID 1146603 reaction equation
[Br:1][c:2]1[c:3]([CH2:4][N:5]2[C:6](=[O:25])[N:7]([c:13]3[cH:14][c:15]([C:21]([F:22])([F:23])[F:24])[c:16]([C:17]#[N:18])[cH:19][cH:20]3)[C:8](=[O:12])[C:9]2([CH3:10])[CH3:11])[cH:26][cH:27][cH:28][cH:29]1.[C:37](=[O:38])([O-:39])[O-:40].[CH3:43][C:44]1([CH3:45])[c:46]2[cH:47][cH:48][cH:49][c:50]([P:51]([c:52]3[cH:53][cH:54][cH:55][cH:56][cH:57]3)[c:58]3[cH:59][cH:60][cH:61][cH:62][cH:63]3)[c:64]2[O:65][c:66]2[c:67]1[cH:68][cH:69][cH:70][c:71]2[P:72]([c:73]1[cH:74][cH:75][cH:76][cH:77][cH:78]1)[c:79]1[cH:80][cH:81][cH:82][cH:83][cH:84]1.[CH3:94][CH2:95][O:96][C:97](=[O:98])[CH3:99].[Cs+:41].[Cs+:42].[NH2:30][c:31]1[cH:32][cH:33][cH:34][cH:35][cH:36]1.[O-:86][C:87]([CH3:88])=[O:89].[O-:90][C:91]([CH3:92])=[O:93].[O:101]1[CH2:102][CH2:103][O:104][CH2:105][CH2:106]1.[OH2:100].[Pd+2:85]>>[c:2]1([NH:30][c:31]2[cH:32][cH:33][cH:34][cH:35][cH:36]2)[c:3]([CH2:4][N:5]2[C:6](=[O:25])[N:7]([c:13]3[cH:14][c:15]([C:21]([F:22])([F:23])[F:24])[c:16]([C:17]#[N:18])[cH:19][cH:20]3)[C:8](=[O:12])[C:9]2([CH3:10])[CH3:11])[cH:26][cH:27][cH:28][cH:29]1

Participants

11

Reactant 10

HCID 175Acetate2×HCID 962WaterHCID 6115AnilineHCID 8857Ethyl AcetateHCID 19660Carbonate IonHCID 312751,4-DioxaneHCID 104967Cesium cation2×HCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 6360441,1'-(9,9-Dimethyl-9H-xanthene-4,5-diyl)bis(1,1-diphenylphosphine)HCID 581543464-[3-(2-Bromobenzyl)-4,4-dimethyl-2,5-dioxoimidazolidin-1-yl]-2-trifluoromethylbenzonitrile

Product 1

HCID 578293104-[4,4-Dimethyl-2,5-dioxo-3-(2-phenylaminobenzyl)imidazolidin-1-yl]-2-trifluoromethylbenzonitrile

Sources & evidence

ORD record
ord-d9f1887407594176b249582ebf014c86
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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