Acetate → 3-[4-({3-[1-(N,N-dimethylglycyl)-3,3-dimethyl-2,3-dihydro-1H-indol-6-yl]-5,5-dimethyl-2,4-dioxoimidazolidin-1-yl}methyl)-pyridin-2-yl]-1,1-dimethylurea

HRID 1144585

Reaction equation

HRID 1144585 reaction equation
[C:41](=[O:42])([O-:43])[O-:44].[C:53]([O-:54])(=[O:55])[CH3:56].[C:58]([O-:59])(=[O:60])[CH3:61].[CH3:35][N:36]([C:37](=[O:38])[NH2:39])[CH3:40].[Cl:1][c:2]1[n:3][cH:4][cH:5][c:6]([CH2:8][N:9]2[C:10](=[O:34])[N:11]([c:17]3[cH:18][cH:19][c:20]4[c:24]([cH:25]3)[N:23]([C:26]([CH2:27][N:28]([CH3:29])[CH3:30])=[O:31])[CH2:22][C:21]4([CH3:32])[CH3:33])[C:12](=[O:16])[C:13]2([CH3:14])[CH3:15])[cH:7]1.[Cs+:45].[Cs+:46].[O:47]1[CH2:48][CH2:49][O:50][CH2:51][CH2:52]1.[Pd+2:57]>>[c:2]1([NH:39][C:37]([N:36]([CH3:35])[CH3:40])=[O:38])[n:3][cH:4][cH:5][c:6]([CH2:8][N:9]2[C:10](=[O:34])[N:11]([c:17]3[cH:18][cH:19][c:20]4[c:24]([cH:25]3)[N:23]([C:26]([CH2:27][N:28]([CH3:29])[CH3:30])=[O:31])[CH2:22][C:21]4([CH3:32])[CH3:33])[C:12](=[O:16])[C:13]2([CH3:14])[CH3:15])[cH:7]1

Participants

8

Reactant 7

HCID 175Acetate2×HCID 11737N,N-DimethylureaHCID 19660Carbonate IonHCID 312751,4-DioxaneHCID 104967Cesium cation2×HCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 576260011-(2-chloropyridin-4-ylmethyl)-3-[1-(2-dimethylamino-acetyl)-3,3-dimethyl-2,3-dihydro-1H-indol-6-yl]-5,5-dimethyl-imidazolidine-2,4-dione

Product 1

HCID 576259763-[4-({3-[1-(N,N-dimethylglycyl)-3,3-dimethyl-2,3-dihydro-1H-indol-6-yl]-5,5-dimethyl-2,4-dioxoimidazolidin-1-yl}methyl)-pyridin-2-yl]-1,1-dimethylurea

Sources & evidence

ORD record
ord-7ab08cdfdcec4d1ba88ecdbb0f12dbf2
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Linked notes

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