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Acetic Acid → 1-(1-(2-(7-Methoxy-2,2-dimethyl-4-oxochroman-8-yl)ethyl)piperidin-4-yl)-1H-indole-6-carboxamide

HRID 1116441
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HRID 1116441 반응식
[C:37]([O:38][BH-:39]([O:40][C:41](=[O:42])[CH3:43])[O:44][C:45](=[O:46])[CH3:47])(=[O:48])[CH3:49].[C:51](=[O:52])([OH:53])[O-:54].[CH2:56]([Cl:57])[Cl:58].[CH3:19][O:20][c:21]1[cH:22][cH:23][c:24]2[c:29]([c:30]1[CH2:31][CH:32]=[O:33])[O:28][C:27]([CH3:34])([CH3:35])[CH2:26][C:25]2=[O:36].[CH3:59][C:60](=[O:61])[OH:62].[NH:1]1[CH2:2][CH2:3][CH:4]([n:7]2[cH:8][cH:9][c:10]3[cH:11][cH:12][c:13]([C:16](=[O:17])[NH2:18])[cH:14][c:15]23)[CH2:5][CH2:6]1.[Na+:50].[Na+:55]>>[N:1]1([CH2:32][CH2:31][c:30]2[c:21]([O:20][CH3:19])[cH:22][cH:23][c:24]3[c:29]2[O:28][C:27]([CH3:34])([CH3:35])[CH2:26][C:25]3=[O:36])[CH2:2][CH2:3][CH:4]([n:7]2[cH:8][cH:9][c:10]3[cH:11][cH:12][c:13]([C:16](=[O:17])[NH2:18])[cH:14][c:15]23)[CH2:5][CH2:6]1
참가 물질출처 및 근거반응 노트

참가 물질

8

반응물 7

HCID 176Acetic AcidHCID 769Bicarbonate IonHCID 923Sodium Ion2회HCID 6344DichloromethaneHCID 2724942TriacetoxyborohydrideHCID 57682772(7-Methoxy-2,2-dimethyl-4-oxochroman-8-yl)acetaldehydeHCID 576827861-(piperidin-4-yl)-1H-indole-6-carboxamide

생성물 1

HCID 116772571-(1-(2-(7-Methoxy-2,2-dimethyl-4-oxochroman-8-yl)ethyl)piperidin-4-yl)-1H-indole-6-carboxamide

출처 및 근거

ORD 기록
ord-91c96e4fe16c485799bc3fc164e6f0ab
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI
10.1039/C8SC04228D

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