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Hydrochloric Acid → tert-butyl N-[3-propan-2-yl-3-[4-[4-(trifluoromethyl)-2-pyridinyl]-3,6-dihydro-2H-pyridine-1-carbonyl]cyclopentyl]carbamate

HRID 2127764
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HRID 2127764 반응식
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][CH:9]1[CH2:10][C:11]([C:14](=[O:15])[OH:16])([CH:17]([CH3:18])[CH3:19])[CH2:12][CH2:13]1.[CH2:72]([Cl:73])[Cl:74].[CH3:38][CH2:39][N:40]([CH2:41][CH3:42])[CH2:43][CH3:44].[ClH:20].[ClH:21].[F:22][C:23]([c:24]1[cH:25][c:26]([C:30]2=[CH:35][CH2:34][NH:33][CH2:32][CH2:31]2)[n:27][cH:28][cH:29]1)([F:36])[F:37].[P-:45]([F:46])([F:47])([F:48])([F:49])([F:50])[F:51].[n:52]1([O:53][P+:54]([N:55]([CH3:56])[CH3:57])([N:58]([CH3:59])[CH3:60])[N:61]([CH3:62])[CH3:63])[c:64]2[cH:65][cH:66][cH:67][cH:68][c:69]2[n:70][n:71]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][CH:9]1[CH2:10][C:11]([C:14](=[O:16])[N:33]2[CH2:32][CH2:31][C:30]([c:26]3[cH:25][c:24]([C:23]([F:22])([F:36])[F:37])[cH:29][cH:28][n:27]3)=[CH:35][CH2:34]2)([CH:17]([CH3:18])[CH3:19])[CH2:12][CH2:13]1
참가 물질출처 및 근거반응 노트

참가 물질

8

반응물 7

HCID 313Hydrochloric Acid2회HCID 6344DichloromethaneHCID 8471TriethylamineHCID 9886HexafluorophosphateHCID 124335Benzotriazol-1-yloxy-tris(dimethylamino)phosphoniumHCID 235335173-(Tert-butoxycarbonylamino)-1-isopropylcyclopentanecarboxylic acid
HCID 59833569
HCID 59833569, 화합물

생성물 1

HCID 72573873tert-butyl N-[3-propan-2-yl-3-[4-[4-(trifluoromethyl)-2-pyridinyl]-3,6-dihydro-2H-pyridine-1-carbonyl]cyclopentyl]carbamate

출처 및 근거

ORD 기록
ord-9ee4d157a09445e998ee070e51ae9642
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI
10.1039/C8SC04228D

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