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Hydrochloric Acid → 2-(3-ethoxy-3-oxopropyl)-4-{[1-isopentyl-4-(3-methylbutanoyl)-1H-pyrrol-2-yl]carbonyl}phenyl 3-methylbutanoate

HRID 114594
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HRID 114594 반응식
[CH2:36]([CH2:37][CH:38]([CH3:39])[CH3:40])[I:41].[CH3:1][CH:2]([CH2:3][C:4](=[O:5])[O:6][c:7]1[c:8]([CH2:26][CH2:27][C:28](=[O:29])[O:30][CH2:31][CH3:32])[cH:9][c:10]([C:13](=[O:14])[c:15]2[nH:16][cH:17][c:18]([C:20]([CH2:21][CH:22]([CH3:23])[CH3:24])=[O:25])[cH:19]2)[cH:11][cH:12]1)[CH3:33].[CH3:43][N:44]([CH3:45])[CH:46]=[O:47].[CH3:49][CH2:50][O:51][C:52](=[O:53])[CH3:54].[ClH:42].[H-:34].[Na+:35].[OH2:48]>>[CH3:1][CH:2]([CH2:3][C:4](=[O:5])[O:6][c:7]1[c:8]([CH2:26][CH2:27][C:28](=[O:29])[O:30][CH2:31][CH3:32])[cH:9][c:10]([C:13](=[O:14])[c:15]2[n:16]([CH2:36][CH2:37][CH:38]([CH3:39])[CH3:40])[cH:17][c:18]([C:20]([CH2:21][CH:22]([CH3:23])[CH3:24])=[O:25])[cH:19]2)[cH:11][cH:12]1)[CH3:33]
참가 물질출처 및 근거반응 노트

참가 물질

9

반응물 8

HCID 313Hydrochloric AcidHCID 923Sodium IonHCID 962WaterHCID 6228DimethylformamideHCID 8857Ethyl AcetateHCID 109241-Iodo-3-methylbutaneHCID 166653Hydride
HCID 17816528
2-(3-ethoxy-3-oxopropyl)-4-{[4-(3-methylbutanoyl)-1H-pyrrol-2-yl]carbonyl}phenyl 3-methylbutanoate

생성물 1

HCID 178164722-(3-ethoxy-3-oxopropyl)-4-{[1-isopentyl-4-(3-methylbutanoyl)-1H-pyrrol-2-yl]carbonyl}phenyl 3-methylbutanoate

출처 및 근거

ORD 기록
ord-2c638c13e9bd4bbfa9129c0eb69db4f4
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI
10.1039/C8SC04228D

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