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Hydrochloric Acid → HCID 58389048, 화합물

HRID 2350732
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HRID 2350732 반응식
[C:42](=[O:43])([OH:44])[O-:45].[CH2:47]1[O:48][CH2:49][CH2:50][CH2:51]1.[CH3:35][C:36]([O-:37])([CH3:38])[CH3:39].[CH3:52][CH2:53][O:54][C:55](=[O:56])[CH3:57].[ClH:41].[K+:40].[NH2:1][C:2]([CH:3]([CH2:4][CH2:5][C:6](=[O:7])[O:8][CH3:9])[N:10]1[C:11](=[O:33])[c:12]2[cH:13][cH:14][cH:15][c:16]([O:19][CH2:20][c:21]3[cH:22][cH:23][c:24]([CH2:27][NH:28][C:29]([CH3:30])([CH3:31])[CH3:32])[cH:25][cH:26]3)[c:17]2[CH2:18]1)=[O:34].[Na+:46]>>[NH:1]1[C:2](=[O:34])[CH:3]([N:10]2[C:11](=[O:33])[c:12]3[cH:13][cH:14][cH:15][c:16]([O:19][CH2:20][c:21]4[cH:22][cH:23][c:24]([CH2:27][NH:28][C:29]([CH3:30])([CH3:31])[CH3:32])[cH:25][cH:26]4)[c:17]3[CH2:18]2)[CH2:4][CH2:5][C:6]1=[O:7]
참가 물질출처 및 근거반응 노트

참가 물질

9

반응물 8

HCID 313Hydrochloric AcidHCID 769Bicarbonate IonHCID 813Potassium CationHCID 923Sodium IonHCID 8028TetrahydrofuranHCID 8857Ethyl AcetateHCID 45749132-Methylpropan-2-olate
HCID 67333749
methyl 5-amino-4-[7-[[4-[(tert-butylamino)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]-5-oxopentanoate

생성물 1

HCID 58389048HCID 58389048, 화합물

출처 및 근거

ORD 기록
ord-42978de05d2a4428a9e8de2e02c64eff
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI
10.1039/C8SC04228D

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