Acetate → 2-[4-[3-Phenylmethoxy-4-[1,1,4-trioxo-5-(2-trimethylsilylethyl)-1,2,5-thiadiazolidin-2-yl]phenyl]but-3-enyl]isoindole-1,3-dione

HRID 189916

반응식

HRID 189916 반응식
[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][c:9]1[c:10]([N:16]2[CH2:17][C:18](=[O:29])[N:19]([CH2:23][CH2:24][Si:25]([CH3:26])([CH3:27])[CH3:28])[S:20]2(=[O:21])=[O:22])[cH:11][cH:12][c:13]([I:15])[cH:14]1.[CH2:30]([CH2:31][CH:32]=[CH2:33])[N:34]1[C:35](=[O:44])[c:36]2[cH:37][cH:38][cH:39][cH:40][c:41]2[C:42]1=[O:43].[CH3:45][CH2:46][N:47]([CH2:48][CH3:49])[CH2:50][CH3:51].[CH3:52][C:53]#[N:54].[O-:56][C:57]([CH3:58])=[O:59].[O-:60][C:61]([CH3:62])=[O:63].[Pd+2:55]>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][c:9]1[c:10]([N:16]2[CH2:17][C:18](=[O:29])[N:19]([CH2:23][CH2:24][Si:25]([CH3:26])([CH3:27])[CH3:28])[S:20]2(=[O:21])=[O:22])[cH:11][cH:12][c:13]([CH:33]=[CH:32][CH2:31][CH2:30][N:34]2[C:35](=[O:44])[c:36]3[cH:37][cH:38][cH:39][cH:40][c:41]3[C:42]2=[O:43])[cH:14]1

참가 물질

7

반응물 6

HCID 175Acetate2회HCID 6342AcetonitrileHCID 8471TriethylamineHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 339432N-(3-Buten-1-yl)phthalimideHCID 667569375-(2-Benzyloxy-4-iodophenyl)-1,1-dioxo-2-(2-trimethylsilanylethyl)-1,2,5-thiadiazolidin-3-one

생성물 1

HCID 688387552-[4-[3-Phenylmethoxy-4-[1,1,4-trioxo-5-(2-trimethylsilylethyl)-1,2,5-thiadiazolidin-2-yl]phenyl]but-3-enyl]isoindole-1,3-dione

출처 및 근거

ORD 기록
ord-f805b0f48c644b7caa7a3a643733b11b
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

연결된 노트

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