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Potassium Cation → [3-[6-Chloro-5-[(cyclohexylacetyl)amino]-2-quinolinyl]propyl]-carbamic acid 1,1-dimethylethyl ester

HRID 155455
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HRID 155455 반응식
[CH3:1][C:2]([CH3:3])([CH3:4])[O:5][C:6]([NH:7][CH2:8][CH:9]=[CH2:10])=[O:11].[CH3:52][N:53]([CH3:54])[CH:55]=[O:56].[CH:12]12[CH2:13][CH2:14][CH2:15][CH:16]([BH:17]1)[CH2:18][CH2:19][CH2:20]2.[Cl:29][c:30]1[n:31][c:32]2[cH:33][cH:34][c:35]([Cl:50])[c:36]([NH:40][C:41]([CH2:42][CH:43]3[CH2:44][CH2:45][CH2:46][CH2:47][CH2:48]3)=[O:49])[c:37]2[cH:38][cH:39]1.[K+:26].[K+:27].[K+:28].[OH2:51].[P:21]([O-:22])([O-:23])([O-:24])=[O:25].[cH:57]1[cH:58][cH:59][c:60]([P:61]([Pd:62]([P:63]([c:64]2[cH:65][cH:66][cH:67][cH:68][cH:69]2)([c:70]2[cH:71][cH:72][cH:73][cH:74][cH:75]2)[c:76]2[cH:77][cH:78][cH:79][cH:80][cH:81]2)([P:82]([c:83]2[cH:84][cH:85][cH:86][cH:87][cH:88]2)([c:89]2[cH:90][cH:91][cH:92][cH:93][cH:94]2)[c:95]2[cH:96][cH:97][cH:98][cH:99][cH:100]2)[P:101]([c:102]2[cH:103][cH:104][cH:105][cH:106][cH:107]2)([c:108]2[cH:109][cH:110][cH:111][cH:112][cH:113]2)[c:114]2[cH:115][cH:116][cH:117][cH:118][cH:119]2)([c:120]2[cH:121][cH:122][cH:123][cH:124][cH:125]2)[c:126]2[cH:127][cH:128][cH:129][cH:130][cH:131]2)[cH:132][cH:133]1>>[CH3:1][C:2]([CH3:3])([CH3:4])[O:5][C:6]([NH:7][CH2:8][CH2:9][CH2:10][c:30]1[n:31][c:32]2[cH:33][cH:34][c:35]([Cl:50])[c:36]([NH:40][C:41]([CH2:42][CH:43]3[CH2:44][CH2:45][CH2:46][CH2:47][CH2:48]3)=[O:49])[c:37]2[cH:38][cH:39]1)=[O:11]
참가 물질출처 및 근거반응 노트

참가 물질

9

반응물 8

HCID 813Potassium Cation3회HCID 962WaterHCID 1061PhosphateHCID 6228DimethylformamideHCID 789669-Borabicyclo(3.3.1)nonaneHCID 4067274tert-butyl N-(prop-2-en-1-yl)carbamateHCID 86012996N-(2,6-Dichloro-5-quinolinyl)-cyclohexaneacetamide
HCID 178420554
HCID 178420554, 화합물

생성물 1

HCID 86609738[3-[6-Chloro-5-[(cyclohexylacetyl)amino]-2-quinolinyl]propyl]-carbamic acid 1,1-dimethylethyl ester

출처 및 근거

ORD 기록
ord-67107a9511c04495811e7406d272d14c
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI
10.1039/C8SC04228D

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