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Hydrochloric Acid → Tert-butyl 3-[[4-(difluoromethoxy)-3-fluorophenyl]methylcarbamoyl]-4-[4-(trifluoromethoxy)phenyl]sulfonylpiperazine-1-carboxylate

HRID 695156
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HRID 695156 반응식
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH:10]([C:28](=[O:29])[OH:30])[N:11]([S:14](=[O:15])(=[O:16])[c:17]2[cH:18][cH:19][c:20]([O:23][C:24]([F:25])([F:26])[F:27])[cH:21][cH:22]2)[CH2:12][CH2:13]1.[CH2:43]([N:44]=[C:45]=[N:46][CH2:47][CH2:48][CH2:49][N:50]([CH3:51])[CH3:52])[CH3:53].[CH3:67][N:68]([CH3:69])[CH:70]=[O:71].[ClH:42].[F:54][CH:55]([O:56][c:57]1[c:58]([F:65])[cH:59][c:60]([CH2:61][NH2:62])[cH:63][cH:64]1)[F:66].[OH2:31].[OH:32][n:33]1[c:34]2[cH:35][cH:36][cH:37][cH:38][c:39]2[n:40][n:41]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH:10]([C:28](=[O:29])[NH:62][CH2:61][c:60]2[cH:59][c:58]([F:65])[c:57]([O:56][CH:55]([F:54])[F:66])[cH:64][cH:63]2)[N:11]([S:14](=[O:15])(=[O:16])[c:17]2[cH:18][cH:19][c:20]([O:23][C:24]([F:25])([F:26])[F:27])[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 59703736[4-(Difluoromethoxy)-3-fluorophenyl]methanamineHCID 178452405HCID 178452405, 화합물

생성물 1

HCID 72362768Tert-butyl 3-[[4-(difluoromethoxy)-3-fluorophenyl]methylcarbamoyl]-4-[4-(trifluoromethoxy)phenyl]sulfonylpiperazine-1-carboxylate

출처 및 근거

ORD 기록
ord-b55e45136b724a1a9d5d7e252ea6cac1
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI
10.1039/C8SC04228D

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