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Glyoxylic Acid → 2-(1-(Bis(tert-butoxycarbonyl)amino)isoquinolin-6-ylamino)-2-(4-(2-(3-((tert-butoxycarbonylamino)methyl)phenylcarbamoyloxy)ethyl)-3-chlorophenyl)acetic acid

HRID 948861
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인쇄 미리보기

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HRID 948861 반응식
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][CH2:9][c:10]1[cH:11][c:12]([NH:16][C:17](=[O:18])[O:19][CH2:20][CH2:21][c:22]2[c:23]([Cl:31])[cH:24][c:25]([B:28]([OH:29])[OH:30])[cH:26][cH:27]2)[cH:13][cH:14][cH:15]1.[C:59]([CH:60]=[O:61])(=[O:62])[OH:63].[NH2:32][c:33]1[cH:34][c:35]2[cH:36][cH:37][n:38][c:39]([N:43]([C:44](=[O:45])[O:46][C:47]([CH3:48])([CH3:49])[CH3:50])[C:51](=[O:52])[O:53][C:54]([CH3:55])([CH3:56])[CH3:57])[c:40]2[cH:41][cH:42]1.[OH2:58]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][CH2:9][c:10]1[cH:11][c:12]([NH:16][C:17](=[O:18])[O:19][CH2:20][CH2:21][c:22]2[c:23]([Cl:31])[cH:24][c:25]([CH:60]([NH:32][c:33]3[cH:34][c:35]4[cH:36][cH:37][n:38][c:39]([N:43]([C:44](=[O:45])[O:46][C:47]([CH3:48])([CH3:49])[CH3:50])[C:51](=[O:52])[O:53][C:54]([CH3:55])([CH3:56])[CH3:57])[c:40]4[cH:41][cH:42]3)[C:59](=[O:62])[OH:63])[cH:26][cH:27]2)[cH:13][cH:14][cH:15]1
참가 물질출처 및 근거반응 노트

참가 물질

5

반응물 4

HCID 760Glyoxylic AcidHCID 962WaterHCID 578427284-(2-(3-((Tert-butoxycarbonylamino)methyl)phenylcarbamoyloxy)ethyl)-3-chlorophenylboronic acidHCID 58717298tert-butyl N-(6-aminoisoquinolin-1-yl)-N-[(tert-butoxy)carbonyl]carbamate

생성물 1

HCID 578427172-(1-(Bis(tert-butoxycarbonyl)amino)isoquinolin-6-ylamino)-2-(4-(2-(3-((tert-butoxycarbonylamino)methyl)phenylcarbamoyloxy)ethyl)-3-chlorophenyl)acetic acid

출처 및 근거

ORD 기록
ord-a867f4ae222b4327b3fdb4fd5b61cb15
출처 데이터셋
Validation data from https://doi.org/10.1039/C8SC04228D
DOI
10.1039/C8SC04228D

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