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4-Amino-1-naphthalenecarbonitrile → N-(4-cyanonaphthalen-1-yl)-4-[5-[3-(2,4-difluorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butan-2-yl]sulfanyl-1,3-dioxan-2-yl]benzamide

HRID 1539202
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인쇄 미리보기

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HRID 1539202 반응식
[CH3:14][Al:15]([CH3:16])[CH3:17].[F:18][c:19]1[c:20]([C:26]([CH:27]([CH3:28])[S:29][CH:30]2[CH2:31][O:32][CH:33]([c:36]3[cH:37][cH:38][c:39]([C:40](=[O:41])[O:42][CH3:43])[cH:44][cH:45]3)[O:34][CH2:35]2)([CH2:46][n:47]2[n:48][cH:49][n:50][cH:51]2)[OH:52])[cH:21][cH:22][c:23]([F:25])[cH:24]1.[NH2:1][c:2]1[cH:3][cH:4][c:5]([C:12]#[N:13])[c:6]2[cH:7][cH:8][cH:9][cH:10][c:11]12>>[NH:1]([c:2]1[cH:3][cH:4][c:5]([C:12]#[N:13])[c:6]2[cH:7][cH:8][cH:9][cH:10][c:11]12)[C:40]([c:39]1[cH:38][cH:37][c:36]([CH:33]2[O:32][CH2:31][CH:30]([S:29][CH:27]([C:26]([c:20]3[c:19]([F:18])[cH:24][c:23]([F:25])[cH:22][cH:21]3)([CH2:46][n:47]3[n:48][cH:49][n:50][cH:51]3)[OH:52])[CH3:28])[CH2:35][O:34]2)[cH:45][cH:44]1)=[O:41]
참가 물질출처 및 근거반응 노트

참가 물질

4

반응물 3

HCID 428284-Amino-1-naphthalenecarbonitrileHCID 16682925TrimethylaluminumHCID 178497608CID 18766322

생성물 1

HCID 18766368N-(4-cyanonaphthalen-1-yl)-4-[5-[3-(2,4-difluorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butan-2-yl]sulfanyl-1,3-dioxan-2-yl]benzamide

출처 및 근거

ORD 기록
ord-be5c91b495a94e8389d274f9c4699ae7
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI
10.1039/C8SC04228D

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