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llms.txt · MCP 가이드개인정보처리방침 · 이용약관 · 지원v1.8.0
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Boronic Acid → 4-(4-(3-((tert-Butoxycarbonylamino)methyl)-4-(ethylsulfonyl)phenylamino)-4-oxobutyl)phenylboronic acid

HRID 96083
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인쇄 미리보기

반응식

HRID 96083 반응식
[BH:62]([OH:63])[OH:64].[Br:29][c:30]1[cH:31][cH:32][c:33]([CH2:34][CH2:35][CH2:36][C:37]([NH:38][c:39]2[cH:40][cH:41][c:42]([S:43]([CH2:44][CH3:45])(=[O:46])=[O:47])[c:48]([CH2:57][NH:58][C:49]([O:50][C:51]([CH3:52])([CH3:53])[CH3:54])=[O:55])[cH:56]2)=[O:59])[cH:60][cH:61]1.[C:1](#[N:2])[c:3]1[cH:4][c:5]([NH:14][C:15]([CH2:16][CH2:17][CH2:18][c:19]2[cH:20][cH:21][c:22]([B:25]([OH:26])[OH:27])[cH:23][cH:24]2)=[O:28])[cH:6][cH:7][c:8]1[S:9](=[O:10])(=[O:11])[CH2:12][CH3:13]>>[CH2:1]([NH:2][C:49]([O:50][C:51]([CH3:52])([CH3:53])[CH3:54])=[O:55])[c:3]1[cH:4][c:5]([NH:14][C:15]([CH2:16][CH2:17][CH2:18][c:19]2[cH:20][cH:21][c:22]([B:25]([OH:26])[OH:27])[cH:23][cH:24]2)=[O:28])[cH:6][cH:7][c:8]1[S:9](=[O:10])(=[O:11])[CH2:12][CH3:13]
참가 물질출처 및 근거반응 노트

참가 물질

4

반응물 3

HCID 61668Boronic AcidHCID 578426844-(4-(3-Cyano-4-(ethylsulfonyl)phenylamino)-4-oxobutyl)phenylboronic acidHCID 57842758tert-Butyl 5-(4-(4-bromophenyl)butanamido)-2-(ethylsulfonyl)benzylcarbamate

생성물 1

HCID 578426824-(4-(3-((tert-Butoxycarbonylamino)methyl)-4-(ethylsulfonyl)phenylamino)-4-oxobutyl)phenylboronic acid

출처 및 근거

ORD 기록
ord-88f9a9c7f88b470ba6f6c014211ec51f
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI
10.1039/C8SC04228D

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