Water → HCID 22591679, 화합물

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[Cl:1][c:2]1[c:3](-[c:10]2[o:11][c:12]([C:15]34[CH2:16][CH2:17][C:18]([CH2:23][CH2:24][CH2:25][C:26]5([CH3:31])[O:27][CH2:30][CH2:29][O:28]5)([CH2:19][CH2:20]3)[CH2:21][CH2:22]4)[n:13][n:14]2)[cH:4][cH:5][c:6]([O:8][CH3:9])[cH:7]1.[OH2:43].[c:32]1([CH3:33])[cH:34][cH:35][c:36]([S:37]([OH:38])(=[O:39])=[O:40])[cH:41][cH:42]1>>[Cl:1][c:2]1[c:3](-[c:10]2[o:11][c:12]([C:15]34[CH2:16][CH2:17][C:18]([CH2:23][CH2:24][CH2:25][C:26](=[O:27])[CH3:31])([CH2:19][CH2:20]3)[CH2:21][CH2:22]4)[n:13][n:14]2)[cH:4][cH:5][c:6]([O:8][CH3:9])[cH:7]1

참가 물질

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HCID 962Water

HCID 6101p-Toluenesulfonic acid

HCID 225916872-(2-Chloro-4-methoxyphenyl)-5-{4-[3-(2-methyl-1,3-dioxolan-2-yl)propyl]bicyclo[2.2.2]oct-1-yl}-1,3,4-oxadiazole

생성물 1

HCID 22591679HCID 22591679, 화합물

출처 및 근거

ORD 기록: ord-629d338f1f424dd6affcf11944385457
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D

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