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Hydrochloric Acid → ethyl 2-[({[4-({cyclohexyl[1-(3-ethoxyphenyl)-3-ethyl-1H-pyrazol-4-yl]methyl}amino)phenyl]carbonyl}amino)methyl]-2-ethylbutanoate

HRID 958796
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HRID 958796 반응식
[CH2:35]([N:36]=[C:37]=[N:38][CH2:39][CH2:40][CH2:41][N:42]([CH3:43])[CH3:44])[CH3:45].[CH3:70][N:71]([CH3:72])[CH:73]=[O:74].[CH3:76][CH2:77][N:78]([CH2:79][CH3:80])[CH2:81][CH3:82].[CH:1]1([CH:7]([c:8]2[c:9]([CH2:22][CH3:23])[n:10][n:11](-[c:13]3[cH:14][c:15]([O:19][CH2:20][CH3:21])[cH:16][cH:17][cH:18]3)[cH:12]2)[NH:24][c:25]2[cH:26][cH:27][c:28]([C:29](=[O:30])[OH:31])[cH:32][cH:33]2)[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6]1.[ClH:34].[ClH:57].[NH2:58][CH2:59][C:60]([C:61](=[O:62])[O:63][CH2:64][CH3:65])([CH2:66][CH3:67])[CH2:68][CH3:69].[OH2:46].[OH2:75].[OH:47][n:48]1[c:49]2[cH:50][cH:51][cH:52][cH:53][c:54]2[n:55][n:56]1>>[CH:1]1([CH:7]([c:8]2[c:9]([CH2:22][CH3:23])[n:10][n:11](-[c:13]3[cH:14][c:15]([O:19][CH2:20][CH3:21])[cH:16][cH:17][cH:18]3)[cH:12]2)[NH:24][c:25]2[cH:26][cH:27][c:28]([C:29](=[O:30])[NH:58][CH2:59][C:60]([C:61](=[O:62])[O:63][CH2:64][CH3:65])([CH2:66][CH3:67])[CH2:68][CH3:69])[cH:32][cH:33]2)[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6]1
참가 물질출처 및 근거반응 노트

참가 물질

9

반응물 8

HCID 313Hydrochloric Acid2회HCID 962Water2회HCID 6228DimethylformamideHCID 8471TriethylamineHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 757711-HydroxybenzotriazoleHCID 14882781Ethyl 2-(aminomethyl)-2-ethylbutanoate
HCID 66778432
4-({cyclohexyl[1-(3-ethoxyphenyl)-3-ethyl-1H-pyrazol-4-yl]methyl}amino)benzoic acid

생성물 1

HCID 66777282ethyl 2-[({[4-({cyclohexyl[1-(3-ethoxyphenyl)-3-ethyl-1H-pyrazol-4-yl]methyl}amino)phenyl]carbonyl}amino)methyl]-2-ethylbutanoate

출처 및 근거

ORD 기록
ord-ab58c74016534c2dbb937c97c5e6b973
출처 데이터셋
Validation data from https://doi.org/10.1039/C8SC04228D
DOI
10.1039/C8SC04228D

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