Acetonitrile → HCID 178458696, 화합물

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[CH2:25]([CH:26]=[CH2:27])[O:28][CH:29]1[CH2:30][CH:31]([NH2:40])[c:32]2[cH:33][c:34]([O:38][CH3:39])[cH:35][cH:36][c:37]21.[CH3:41][C:42]#[N:43].[F:1][c:2]1[cH:3][c:4]([CH2:9][CH:10]([CH:11]2[O:12][CH2:13]2)[NH:14][C:15]([O:16][CH2:17][c:18]2[cH:19][cH:20][cH:21][cH:22][cH:23]2)=[O:24])[cH:5][c:6]([F:8])[cH:7]1>>[F:1][c:2]1[cH:3][c:4]([CH2:9][CH:10]([CH:11]([OH:12])[CH2:13][NH:40][CH:31]2[CH2:30][CH:29]([O:28][CH2:25][CH:26]=[CH2:27])[c:37]3[c:32]2[cH:33][c:34]([O:38][CH3:39])[cH:35][cH:36]3)[NH:14][C:15]([O:16][CH2:17][c:18]2[cH:19][cH:20][cH:21][cH:22][cH:23]2)=[O:24])[cH:5][c:6]([F:8])[cH:7]1

참가 물질

반응물 3

HCID 6342Acetonitrile

HCID 684661956-methoxy-3-prop-2-enoxy-2,3-dihydro-1H-inden-1-amine

HCID 72432655benzyl N-[2-(3,5-difluorophenyl)-1-(oxiran-2-yl)ethyl]carbamate

생성물 1

HCID 178458696HCID 178458696, 화합물

출처 및 근거

ORD 기록: ord-d6cf36774d524cb68dcfb28ff8754af3
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D

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