Hexane → HCID 10275246, 화합물

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

참가 물질

반응물 2

HCID 8058Hexane

HCID 10139269HCID 10139269, 화합물

생성물 1

HCID 10275246HCID 10275246, 화합물

출처 및 근거

ORD 기록: ord-6642fed8b3b244a8b9f1a780893e36b5
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D

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