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Acetate → 5-[4-[2-(Benzenesulfonyl)ethenyl]-2-phenylmethoxyphenyl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one

HRID 167103
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HRID 167103 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:23])[NH:19][S:20]2(=[O:21])=[O:22])[cH:11][cH:12][c:13]([I:15])[cH:14]1.[CH3:35][CH2:36][N:37]([CH2:38][CH3:39])[CH2:40][CH3:41].[CH3:42][C:43]#[N:44].[CH:24](=[CH2:25])[S:26](=[O:27])(=[O:28])[c:29]1[cH:30][cH:31][cH:32][cH:33][cH:34]1.[O-:46][C:47]([CH3:48])=[O:49].[O-:50][C:51]([CH3:52])=[O:53].[Pd+2:45]>>[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:23])[NH:19][S:20]2(=[O:21])=[O:22])[cH:11][cH:12][c:13]([CH:25]=[CH:24][S:26](=[O:27])(=[O:28])[c:29]2[cH:30][cH:31][cH:32][cH:33][cH:34]2)[cH:14]1
참가 물질출처 및 근거반응 노트

참가 물질

7

반응물 6

HCID 175Acetate2회HCID 6342AcetonitrileHCID 8471TriethylamineHCID 79664Phenyl vinyl sulfoneHCID 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 68839041
5-[4-[2-(Benzenesulfonyl)ethenyl]-2-phenylmethoxyphenyl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one

출처 및 근거

ORD 기록
ord-c9bc2ff9c9fa42159c60289ba7cac92b
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI
10.1039/C8SC04228D

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