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Acetate → 3-[1-(N-isopropylglycyl)-3,3-dimethyl-2,3-dihydro-1H-indol-6-yl]-5,5-dimethyl-1-{[2-(pyridin-3-ylamino)pyridin-4-yl]methyl}imidazolidine-2,4-dione

HRID 2146647
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HRID 2146647 반응식
[C:43](=[O:44])([O-:45])[O-:46].[C:59]([O-:60])(=[O:61])[CH3:62].[C:64]([O-:65])(=[O:66])[CH3:67].[CH3:49][N:50]1[CH2:51][CH2:52][CH2:53][C:54]1=[O:55].[Cl:1][c:2]1[n:3][cH:4][cH:5][c:6]([CH2:8][N:9]2[C:10](=[O:35])[N:11]([c:17]3[cH:18][cH:19][c:20]4[c:24]([cH:25]3)[N:23]([C:26]([CH2:27][NH:28][CH:29]([CH3:30])[CH3:31])=[O:32])[CH2:22][C:21]4([CH3:33])[CH3:34])[C:12](=[O:16])[C:13]2([CH3:14])[CH3:15])[cH:7]1.[Cl:56][CH2:57][Cl:58].[Cs+:47].[Cs+:48].[NH2:36][c:37]1[cH:38][n:39][cH:40][cH:41][cH:42]1.[Pd+2:63]>>[c:2]1([NH:36][c:37]2[cH:38][n:39][cH:40][cH:41][cH:42]2)[n:3][cH:4][cH:5][c:6]([CH2:8][N:9]2[C:10](=[O:35])[N:11]([c:17]3[cH:18][cH:19][c:20]4[c:24]([cH:25]3)[N:23]([C:26]([CH2:27][NH:28][CH:29]([CH3:30])[CH3:31])=[O:32])[CH2:22][C:21]4([CH3:33])[CH3:34])[C:12](=[O:16])[C:13]2([CH3:14])[CH3:15])[cH:7]1
참가 물질출처 및 근거반응 노트

참가 물질

9

반응물 8

HCID 175Acetate2회HCID 6344DichloromethaneHCID 100093-AminopyridineHCID 13387N-methyl-2-pyrrolidoneHCID 19660Carbonate IonHCID 104967Cesium cation2회HCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)
HCID 57625992
1-[(2-chloropyridin-4-yl)methyl]-3-[1-(N-isopropylglycyl)-3,3-dimethyl-2,3-dihydro-1H-indol-6-yl]-5,5-dimethylimidazolidine-2,4-dione

생성물 1

HCID 576260313-[1-(N-isopropylglycyl)-3,3-dimethyl-2,3-dihydro-1H-indol-6-yl]-5,5-dimethyl-1-{[2-(pyridin-3-ylamino)pyridin-4-yl]methyl}imidazolidine-2,4-dione

출처 및 근거

ORD 기록
ord-31485d4e8051466883dd3e4a9a421b57
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI
10.1039/C8SC04228D

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