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Dichloromethane → 4-(4-{5-[2-Chloro-5-(3-Trifluoromethyl-Benzoylamino)-Benzoylamino]-Pyrimidin-2-ylamino}-Benzenesulfonyl)-Piperidine-1-Carboxylic Acid tert-Butyl Ester

HRID 294735
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인쇄 미리보기

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HRID 294735 반응식
[C:42]([CH3:43])([CH3:44])([CH3:45])[O:46][C:47](=[O:48])[N:49]1[CH2:50][CH2:51][CH:52]([S:55](=[O:56])(=[O:57])[c:58]2[cH:59][cH:60][c:61]([NH:64][c:65]3[n:66][cH:67][c:68]([NH2:71])[cH:69][n:70]3)[cH:62][cH:63]2)[CH2:53][CH2:54]1.[CH3:35][N:36]1[CH2:37][CH2:38][O:39][CH2:40][CH2:41]1.[Cl:24][c:25]1[n:26][c:27]([O:28][CH3:29])[n:30][c:31]([O:32][CH3:33])[n:34]1.[Cl:72][CH2:73][Cl:74].[F:1][C:2]([c:3]1[cH:4][c:5]([C:6](=[O:7])[NH:8][c:9]2[cH:10][cH:11][c:12]([Cl:18])[c:13]([C:14](=[O:15])[OH:16])[cH:17]2)[cH:19][cH:20][cH:21]1)([F:22])[F:23]>>[F:1][C:2]([c:3]1[cH:4][c:5]([C:6](=[O:7])[NH:8][c:9]2[cH:10][cH:11][c:12]([Cl:18])[c:13]([C:14](=[O:16])[NH:71][c:68]3[cH:67][n:66][c:65]([NH:64][c:61]4[cH:60][cH:59][c:58]([S:55]([CH:52]5[CH2:51][CH2:50][N:49]([C:47]([O:46][C:42]([CH3:43])([CH3:44])[CH3:45])=[O:48])[CH2:54][CH2:53]5)(=[O:56])=[O:57])[cH:63][cH:62]4)[n:70][cH:69]3)[cH:17]2)[cH:19][cH:20][cH:21]1)([F:22])[F:23]
참가 물질출처 및 근거반응 노트

참가 물질

6

반응물 5

HCID 6344DichloromethaneHCID 79724-MethylmorpholineHCID 184502-Chloro-4,6-dimethoxy-1,3,5-triazineHCID 534011722-Chloro-5-(3-(trifluoromethyl)benzamido)benzoic acidHCID 587487264-(4-(5-Amino-pyrimidin-2-ylamino)-benzenesulfonyl)-piperidine-1-carboxylic acid tert-butyl ester

생성물 1

HCID 59652742
4-(4-{5-[2-Chloro-5-(3-Trifluoromethyl-Benzoylamino)-Benzoylamino]-Pyrimidin-2-ylamino}-Benzenesulfonyl)-Piperidine-1-Carboxylic Acid tert-Butyl Ester

출처 및 근거

ORD 기록
ord-c9a7d4076f2d44b3b8c17f65abdbc6dc
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI
10.1039/C8SC04228D

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