Benzene → HCID 178447146, 화합물

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

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HCID 241Benzene

HCID 178447145HCID 178447145, 화합물

생성물 1

HCID 178447146HCID 178447146, 화합물

출처 및 근거

ORD 기록: ord-62b15dc4db4b4e3f9de57a6df1123128
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D

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