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Acetate → 2-Methyl-4-[3-phenylmethoxy-4-(1,1,4-trioxo-1,2,5-thiadiazolidin-2-yl)phenyl]but-3-enenitrile

HRID 315773
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HRID 315773 반응식
[CH2:37]1[O:38][CH2:39][CH2:40][CH2:41]1.[CH2:7]([c:8]1[cH:9][cH:10][cH:11][cH:12][cH:13]1)[O:14][c:15]1[c:16]([N:22]2[CH2:23][C:24](=[O:29])[NH:25][S:26]2(=[O:27])=[O:28])[cH:17][cH:18][c:19]([I:21])[cH:20]1.[CH3:1][CH:2]([C:3]#[N:4])[CH:5]=[CH2:6].[CH3:30][CH2:31][N:32]([CH2:33][CH3:34])[CH2:35][CH3:36].[O-:43][C:44]([CH3:45])=[O:46].[O-:47][C:48]([CH3:49])=[O:50].[Pd+2:42]>>[CH3:1][CH:2]([C:3]#[N:4])[CH:5]=[CH:6][c:19]1[cH:18][cH:17][c:16]([N:22]2[CH2:23][C:24](=[O:29])[NH:25][S:26]2(=[O:27])=[O:28])[c:15]([O:14][CH2:7][c:8]2[cH:9][cH:10][cH:11][cH:12][cH:13]2)[cH:20]1
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참가 물질

7

반응물 6

HCID 175Acetate2회HCID 8028TetrahydrofuranHCID 8471TriethylamineHCID 279092-Methyl-3-butenenitrileHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 688386435-(2-Benzyloxy-4-iodophenyl)-1,1-dioxo-1,2,5-thiadiazolidin-3-one

생성물 1

HCID 68922600
2-Methyl-4-[3-phenylmethoxy-4-(1,1,4-trioxo-1,2,5-thiadiazolidin-2-yl)phenyl]but-3-enenitrile

출처 및 근거

ORD 기록
ord-4cf55b58053842059b33fc87208de5b7
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI
10.1039/C8SC04228D

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