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Hydrochloric Acid → 2'-{[5-{[(carboxymethyl)amino]carbonyl}-4-hydroxy-3-(1-methylethyl)-6-oxo-1(6H)-pyridazinyl]methyl}-4-biphenylcarboxylic acid

HRID 1123124
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HRID 1123124 반응식
[Br:1][c:2]1[c:3]([CH2:8][n:9]2[n:10][c:11]([CH:24]([CH3:25])[CH3:26])[c:12]([OH:23])[c:13]([C:16](=[O:17])[NH:18][CH2:19][C:20](=[O:21])[OH:22])[c:14]2=[O:15])[cH:4][cH:5][cH:6][cH:7]1.[C:27](=[O:28])([OH:29])[c:30]1[cH:31][cH:32][c:33]([B:36]([OH:37])[OH:38])[cH:34][cH:35]1.[C:39](=[O:40])([O-:41])[O-:42].[CH2:46]1[O:47][CH2:48][CH2:49][O:50][CH2:51]1.[ClH:45].[K+:43].[K+:44].[OH2:52].[cH:53]1[cH:54][cH:55][c:56]([P:57]([Pd:58]([P:59]([c:60]2[cH:61][cH:62][cH:63][cH:64][cH:65]2)([c:66]2[cH:67][cH:68][cH:69][cH:70][cH:71]2)[c:72]2[cH:73][cH:74][cH:75][cH:76][cH:77]2)([P:78]([c:79]2[cH:80][cH:81][cH:82][cH:83][cH:84]2)([c:85]2[cH:86][cH:87][cH:88][cH:89][cH:90]2)[c:91]2[cH:92][cH:93][cH:94][cH:95][cH:96]2)[P:97]([c:98]2[cH:99][cH:100][cH:101][cH:102][cH:103]2)([c:104]2[cH:105][cH:106][cH:107][cH:108][cH:109]2)[c:110]2[cH:111][cH:112][cH:113][cH:114][cH:115]2)([c:116]2[cH:117][cH:118][cH:119][cH:120][cH:121]2)[c:122]2[cH:123][cH:124][cH:125][cH:126][cH:127]2)[cH:128][cH:129]1>>[c:2]1(-[c:33]2[cH:32][cH:31][c:30]([C:27](=[O:28])[OH:29])[cH:35][cH:34]2)[c:3]([CH2:8][n:9]2[n:10][c:11]([CH:24]([CH3:25])[CH3:26])[c:12]([OH:23])[c:13]([C:16](=[O:17])[NH:18][CH2:19][C:20](=[O:21])[OH:22])[c:14]2=[O:15])[cH:4][cH:5][cH:6][cH:7]1
참가 물질출처 및 근거반응 노트

참가 물질

9

반응물 8

HCID 313Hydrochloric AcidHCID 813Potassium Cation2회HCID 962WaterHCID 19660Carbonate IonHCID 312751,4-DioxaneHCID 3121834-Carboxyphenylboronic AcidHCID 54739212N-{[2-[(2-Bromophenyl)methyl]-5-hydroxy-6-(1-methylethyl)-3-oxo-2,3-dihydro-4-pyridazinyl]carbonyl}glycine
HCID 178420554HCID 178420554, 화합물

생성물 1

HCID 547391982'-{[5-{[(carboxymethyl)amino]carbonyl}-4-hydroxy-3-(1-methylethyl)-6-oxo-1(6H)-pyridazinyl]methyl}-4-biphenylcarboxylic acid

출처 및 근거

ORD 기록
ord-64d9a36e97ce4e29b3e050c500cbd01d
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI
10.1039/C8SC04228D

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