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Hydrochloric Acid → N-[2-(4-hydroxyphenyl)ethyl]-3-methyl-2-[pentanoyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]butanamide

HRID 669465
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HRID 669465 반응식
[C:1](=[O:2])([OH:3])[CH:4]([CH:5]([CH3:6])[CH3:7])[N:8]([CH2:9][c:10]1[cH:11][cH:12][c:13](-[c:16]2[c:17](-[c:22]3[n:23][n:24][n:25][nH:26]3)[cH:18][cH:19][cH:20][cH:21]2)[cH:14][cH:15]1)[C:27]([CH2:28][CH2:29][CH2:30][CH3:31])=[O:32].[CH2:44]([N:45]([CH:46]([CH3:47])[CH3:48])[CH:49]([CH3:50])[CH3:51])[CH3:52].[CH:63]1([N:64]=[C:65]=[N:66][CH:67]2[CH2:68][CH2:69][CH2:70][CH2:71][CH2:72]2)[CH2:73][CH2:74][CH2:75][CH2:76][CH2:77]1.[ClH:33].[NH2:34][CH2:35][CH2:36][c:37]1[cH:38][cH:39][c:40]([OH:43])[cH:41][cH:42]1.[O:78]=[CH:79][N:80]([CH3:81])[CH3:82].[OH:53][n:54]1[c:55]2[cH:56][cH:57][cH:58][cH:59][c:60]2[n:61][n:62]1>>[C:1](=[O:2])([CH:4]([CH:5]([CH3:6])[CH3:7])[N:8]([CH2:9][c:10]1[cH:11][cH:12][c:13](-[c:16]2[c:17](-[c:22]3[nH:23][n:24][n:25][n:26]3)[cH:18][cH:19][cH:20][cH:21]2)[cH:14][cH:15]1)[C:27]([CH2:28][CH2:29][CH2:30][CH3:31])=[O:32])[NH:34][CH2:35][CH2:36][c:37]1[cH:38][cH:39][c:40]([OH:43])[cH:41][cH:42]1
참가 물질출처 및 근거반응 노트

참가 물질

8

반응물 7

HCID 313Hydrochloric AcidHCID 5610TyramineHCID 6228DimethylformamideHCID 10868DicyclohexylcarbodiimideHCID 757711-HydroxybenzotriazoleHCID 81531DiisopropylethylamineHCID 178447293HCID 178447293, 화합물

생성물 1

HCID 178447291N-[2-(4-hydroxyphenyl)ethyl]-3-methyl-2-[pentanoyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]butanamide

출처 및 근거

ORD 기록
ord-1e57edfa4d74401583e84c5b0e56321f
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI
10.1039/C8SC04228D

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