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2-Bromobenzaldehyde → 5-(4-{4-(2,4-Dichloro-phenyl)-2-[4'-(3-ethyl-cyclobutyl)-biphenyl-4-ylmethy]-imidazol-1-yl}-phenyl)-1,2,5-thiadiazolidine-3-one-1,1-dioxide

HRID 1560297
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인쇄 미리보기

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HRID 1560297 반응식
[Br:1][c:2]1[cH:3][cH:4][c:5]([CH2:6][c:7]2[n:8](-[c:20]3[cH:21][cH:22][c:23]([N:26]4[CH2:27][C:28](=[O:33])[NH:29][S:30]4(=[O:31])=[O:32])[cH:24][cH:25]3)[cH:9][c:10](-[c:12]3[c:13]([Cl:19])[cH:14][c:15]([Cl:18])[cH:16][cH:17]3)[n:11]2)[cH:34][cH:35]1.[Br:51][c:52]1[cH:53][cH:54][c:55]([CH:56]2[CH2:57][C:58](=[O:59])[CH2:60]2)[cH:61][cH:62]1.[Br:63][c:64]1[cH:65][cH:66][cH:67][cH:68][c:69]1[CH:70]=[O:71].[CH2:36]([CH3:37])[CH:38]1[CH2:39][CH:40]([c:42]2[cH:43][cH:44][c:45]([B:48]([OH:49])[OH:50])[cH:46][cH:47]2)[CH2:41]1>>[c:2]1(-[c:45]2[cH:44][cH:43][c:42]([CH:40]3[CH2:39][CH:38]([CH2:36][CH3:37])[CH2:41]3)[cH:47][cH:46]2)[cH:3][cH:4][c:5]([CH2:6][c:7]2[n:8](-[c:20]3[cH:21][cH:22][c:23]([N:26]4[CH2:27][C:28](=[O:33])[NH:29][S:30]4(=[O:31])=[O:32])[cH:24][cH:25]3)[cH:9][c:10](-[c:12]3[c:13]([Cl:19])[cH:14][c:15]([Cl:18])[cH:16][cH:17]3)[n:11]2)[cH:34][cH:35]1
참가 물질출처 및 근거반응 노트

참가 물질

5

반응물 4

HCID 811292-BromobenzaldehydeHCID 45896953-(4-Bromophenyl)cyclobutan-1-oneHCID 593054905-{4-[2-(4-Bromo-benzyl)-4-(2,4-dichloro-phenyl)-imidazol-1-yl]-phenyl}-1,2,5-thiadiazolidine-3-one-1,1-dioxideHCID 685836294-(3-Ethyl-cyclobutyl)phenylboronic acid

생성물 1

HCID 59305405
5-(4-{4-(2,4-Dichloro-phenyl)-2-[4'-(3-ethyl-cyclobutyl)-biphenyl-4-ylmethy]-imidazol-1-yl}-phenyl)-1,2,5-thiadiazolidine-3-one-1,1-dioxide

출처 및 근거

ORD 기록
ord-495a75b430df4439b903b7a13a25c2dc
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI
10.1039/C8SC04228D

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