Ethanol → HCID 178446168, 화합물

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[CH2:1]([O:2][C:4](=[O:3])[c:6]1[c:7]([OH:21])[c:8]2[n:9]([n:10]([CH2:13][CH2:14][CH:15]([CH3:16])[CH3:17])[c:11]1=[O:12])[cH:18][cH:19][cH:20]2)[CH3:5].[CH3:33][CH2:34][OH:35].[NH2:22][c:23]1[c:24]([S:29](=[O:30])(=[O:31])[NH2:32])[cH:25][cH:26][cH:27][cH:28]1>>[C:4]1([c:6]2[c:7]([OH:21])[c:8]3[n:9]([n:10]([CH2:13][CH2:14][CH:15]([CH3:16])[CH3:17])[c:11]2=[O:12])[cH:18][cH:19][cH:20]3)=[N:32][S:29](=[O:30])(=[O:31])[c:24]2[c:23]([cH:28][cH:27][cH:26][cH:25]2)[NH:22]1

참가 물질

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HCID 702Ethanol

HCID 728942-Aminobenzenesulfonamide

HCID 598535874-Hydroxy-1-(3-methyl-butyl)-2-oxo-1,2-dihydro-pyrrolo[1,2-b]pyridazine-3-carboxylic acid ethyl ester

생성물 1

HCID 178446168HCID 178446168, 화합물

출처 및 근거

ORD 기록: ord-fc5dd770cd394159a95dd977374e1e52
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D

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