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Hydroxide → 4-[2-bromo-4-(2-methylsulfanyl-2-methylsulfinylethenyl)phenoxy]-N-[2-(4-chlorophenyl)ethyl]benzamide

HRID 144288
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반응식

HRID 144288 반응식
[CH2:47]1[O:48][CH2:49][CH2:50][CH2:51]1.[CH3:30][N+:31]([CH3:32])([CH3:33])[CH2:34][c:35]1[cH:36][cH:37][cH:38][cH:39][cH:40]1.[CH3:41][S:42](=[O:43])[CH2:44][S:45][CH3:46].[Cl:1][c:2]1[cH:3][cH:4][c:5]([CH2:6][CH2:7][NH:8][C:9]([c:10]2[cH:11][cH:12][c:13]([O:16][c:17]3[c:18]([Br:25])[cH:19][c:20]([CH:23]=[O:24])[cH:21][cH:22]3)[cH:14][cH:15]2)=[O:26])[cH:27][cH:28]1.[OH-:29]>>[Cl:1][c:2]1[cH:3][cH:4][c:5]([CH2:6][CH2:7][NH:8][C:9]([c:10]2[cH:11][cH:12][c:13]([O:16][c:17]3[c:18]([Br:25])[cH:19][c:20]([CH:23]=[C:44]([S:42]([CH3:41])=[O:43])[S:45][CH3:46])[cH:21][cH:22]3)[cH:14][cH:15]2)=[O:26])[cH:27][cH:28]1
참가 물질출처 및 근거반응 노트

참가 물질

6

반응물 5

HCID 961HydroxideHCID 5964BenzyltrimethylammoniumHCID 8028TetrahydrofuranHCID 99129Methyl (methylsulfinyl)methyl sulfideHCID 86643286N-(4-chlorophenethyl)-4-(2-bromo-4-formylphenoxy)benzamide

생성물 1

HCID 912412344-[2-bromo-4-(2-methylsulfanyl-2-methylsulfinylethenyl)phenoxy]-N-[2-(4-chlorophenyl)ethyl]benzamide

출처 및 근거

ORD 기록
ord-337df6eaa6ed480a9e8387c8c66adaba
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI
10.1039/C8SC04228D

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