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Hydrochloric Acid → Tert-butyl 4-(4-cyclopropylphenyl)sulfonyl-3-[[4-(trifluoromethoxy)phenyl]methylcarbamoyl]piperazine-1-carboxylate

HRID 2150878
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HRID 2150878 반응식
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH:10]([C:26](=[O:27])[OH:28])[N:11]([S:14](=[O:15])(=[O:16])[c:17]2[cH:18][cH:19][c:20]([CH:23]3[CH2:24][CH2:25]3)[cH:21][cH:22]2)[CH2:12][CH2:13]1.[CH2:30]([N:31]=[C:32]=[N:33][CH2:34][CH2:35][CH2:36][N:37]([CH3:38])[CH3:39])[CH3:40].[CH3:65][N:66]([CH3:67])[CH:68]=[O:69].[ClH:29].[F:52][C:53]([O:54][c:55]1[cH:56][cH:57][c:58]([CH2:59][NH2:60])[cH:61][cH:62]1)([F:63])[F:64].[OH2:41].[OH:42][n:43]1[c:44]2[cH:45][cH:46][cH:47][cH:48][c:49]2[n:50][n:51]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH:10]([C:26](=[O:28])[NH:60][CH2:59][c:58]2[cH:57][cH:56][c:55]([O:54][C:53]([F:52])([F:63])[F:64])[cH:62][cH:61]2)[N:11]([S:14](=[O:15])(=[O:16])[c:17]2[cH:18][cH:19][c:20]([CH:23]3[CH2:24][CH2:25]3)[cH:21][cH:22]2)[CH2:12][CH2:13]1
참가 물질출처 및 근거반응 노트

참가 물질

8

반응물 7

HCID 313Hydrochloric AcidHCID 962WaterHCID 6228DimethylformamideHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 757711-HydroxybenzotriazoleHCID 5718464-(Trifluoromethoxy)benzylamineHCID 178452397HCID 178452397, 화합물

생성물

1
HCID 67411430Tert-butyl 4-(4-cyclopropylphenyl)sulfonyl-3-[[4-(trifluoromethoxy)phenyl]methylcarbamoyl]piperazine-1-carboxylate

출처 및 근거

ORD 기록
ord-9cb634e4feaf4bc19f55db47086d2834
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI
10.1039/C8SC04228D

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