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Dichloromethane → [4-(Furan-2-carbonyl)-piperazin-1-yl]-(4-{4-[4-(4-hydroxybutylsulfanyl)phenyl]pyrimidin-2-ylamino}phenyl)methanone

HRID 91113
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HRID 91113 반응식
[CH2:63]1[O:64][CH2:65][CH2:66][CH2:67]1.[CH3:42][CH2:43][N:44]=[C:45]=[N:46][CH2:47][CH2:48][CH2:49][N:50]([CH3:51])[CH3:52].[Cl:68][CH2:69][Cl:70].[OH:1][CH2:2][CH2:3][CH2:4][CH2:5][S:6][c:7]1[cH:8][cH:9][c:10](-[c:13]2[n:14][c:15]([NH:19][c:20]3[cH:21][cH:22][c:23]([C:24](=[O:25])[OH:26])[cH:27][cH:28]3)[n:16][cH:17][cH:18]2)[cH:11][cH:12]1.[OH:53][n:54]1[c:55]2[c:56]([cH:57][cH:58][cH:59][cH:60]2)[n:61][n:62]1.[o:29]1[c:30]([C:34](=[O:35])[N:36]2[CH2:37][CH2:38][NH:39][CH2:40][CH2:41]2)[cH:31][cH:32][cH:33]1>>[OH:1][CH2:2][CH2:3][CH2:4][CH2:5][S:6][c:7]1[cH:8][cH:9][c:10](-[c:13]2[n:14][c:15]([NH:19][c:20]3[cH:21][cH:22][c:23]([C:24](=[O:25])[N:39]4[CH2:38][CH2:37][N:36]([C:34]([c:30]5[o:29][cH:33][cH:32][cH:31]5)=[O:35])[CH2:41][CH2:40]4)[cH:27][cH:28]3)[n:16][cH:17][cH:18]2)[cH:11][cH:12]1
참가 물질출처 및 근거반응 노트

참가 물질

7

반응물 6

HCID 6344DichloromethaneHCID 8028TetrahydrofuranHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 757711-HydroxybenzotriazoleHCID 5502061-(2-Furoyl)piperazineHCID 219059924-{4-[4-(4-Hydroxybutylsulfanyl)phenyl]pyrimidin-2-ylamino}benzoic acid

생성물 1

HCID 21906001
[4-(Furan-2-carbonyl)-piperazin-1-yl]-(4-{4-[4-(4-hydroxybutylsulfanyl)phenyl]pyrimidin-2-ylamino}phenyl)methanone

출처 및 근거

ORD 기록
ord-66089034acd24b0b81b28ceb92d9eb81
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI
10.1039/C8SC04228D

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