Hexane → HCID 178447022, 화합물

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

참가 물질

반응물 3

HCID 8058Hexane

HCID 8857Ethyl Acetate

HCID 178447021HCID 178447021, 화합물

생성물 1

HCID 178447022HCID 178447022, 화합물

출처 및 근거

ORD 기록: ord-3c37493348e74d37aceae5a4f7722367
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D

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