Acetonitrile → HCID 67094414, 화합물

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

참가 물질

반응물 3

HCID 6342Acetonitrile

HCID 70670Acetic acid, 2-(triphenylphosphoranylidene)-, ethyl ester

HCID 59146047HCID 59146047, 화합물

생성물 1

HCID 67094414HCID 67094414, 화합물

출처 및 근거

ORD 기록: ord-3eb6fb7d81294ec4acfbc21d4c25179e
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D

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