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Dichloromethane → 7-Isopropyl-2-[4-({8-[4-(trifluoromethyl)benzyl]-2,8-diazaspiro[4.5]dec-2-yl}carbonyl)phenyl]-1,3-benzoxazole-5-carbonitrile

HRID 207306
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HRID 207306 반응식
[CH2:1]1[N:2]([C:11](=[O:12])[c:13]2[cH:14][cH:15][c:16](-[c:19]3[o:20][c:21]4[c:22]([n:23]3)[cH:24][c:25]([C:31]#[N:32])[cH:26][c:27]4[CH:28]([CH3:29])[CH3:30])[cH:17][cH:18]2)[CH2:3][CH2:4][C:5]12[CH2:6][CH2:7][NH:8][CH2:9][CH2:10]2.[CH:33]([N:34]([CH:35]([CH3:36])[CH3:37])[CH2:38][CH3:39])([CH3:40])[CH3:41].[Cl:54][CH2:55][Cl:56].[F:42][C:43]([c:44]1[cH:45][cH:46][c:47]([CH2:48][Br:49])[cH:50][cH:51]1)([F:52])[F:53]>>[CH2:1]1[N:2]([C:11](=[O:12])[c:13]2[cH:14][cH:15][c:16](-[c:19]3[o:20][c:21]4[c:22]([n:23]3)[cH:24][c:25]([C:31]#[N:32])[cH:26][c:27]4[CH:28]([CH3:29])[CH3:30])[cH:17][cH:18]2)[CH2:3][CH2:4][C:5]12[CH2:6][CH2:7][N:8]([CH2:48][c:47]1[cH:46][cH:45][c:44]([C:43]([F:42])([F:52])[F:53])[cH:51][cH:50]1)[CH2:9][CH2:10]2
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참가 물질

5

반응물 4

HCID 6344DichloromethaneHCID 81531DiisopropylethylamineHCID 1230621-(Bromomethyl)-4-(trifluoromethyl)benzeneHCID 687456012-[4-(2,8-Diazaspiro[4.5]dec-2-ylcarbonyl)phenyl]-7-isopropyl-1,3-benzoxazole-5-carbonitrile

생성물 1

HCID 251695867-Isopropyl-2-[4-({8-[4-(trifluoromethyl)benzyl]-2,8-diazaspiro[4.5]dec-2-yl}carbonyl)phenyl]-1,3-benzoxazole-5-carbonitrile

출처 및 근거

ORD 기록
ord-b550d8bb200b47fbaf6070bccad3652b
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI
10.1039/C8SC04228D

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