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Ethanol → N-(5-ethoxycarbonylmethyl-4,6-dimethylindolin-7-yl)-2,2-dimethylpropanamide

HRID 1537509
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인쇄 미리보기

반응식

HRID 1537509 반응식
[C:1](=[O:2])([CH3:3])[N:4]1[CH2:5][CH2:6][c:7]2[c:8]([CH3:27])[c:9]([CH2:21][C:22](=[O:23])[O:24][CH2:25][CH3:26])[c:10]([CH3:20])[c:11]([NH:13][C:14]([C:15]([CH3:16])([CH3:17])[CH3:18])=[O:19])[c:12]21.[CH3:29][CH2:30][O-:31].[CH3:39][CH2:40][O:41][C:42](=[O:43])[CH3:44].[CH3:45][CH2:46][OH:47].[Na+:28].[Na+:38].[OH-:37].[OH2:48].[S:32](=[O:33])(=[O:34])([OH:35])[OH:36]>>[NH:4]1[CH2:5][CH2:6][c:7]2[c:8]([CH3:27])[c:9]([CH2:21][C:22](=[O:23])[O:24][CH2:25][CH3:26])[c:10]([CH3:20])[c:11]([NH:13][C:14]([C:15]([CH3:16])([CH3:17])[CH3:18])=[O:19])[c:12]21
참가 물질출처 및 근거반응 노트

참가 물질

9

반응물 8

HCID 702EthanolHCID 923Sodium Ion2회HCID 961HydroxideHCID 962WaterHCID 1118Sulfuric AcidHCID 8857Ethyl AcetateHCID 1194401-Hydroxyethyl radical
HCID 15524344
N-(1-acetyl-5-ethoxycarbonylmethyl-4,6-dimethylindolin-7-yl)-2,2-dimethylpropanamide

생성물 1

HCID 12112203N-(5-ethoxycarbonylmethyl-4,6-dimethylindolin-7-yl)-2,2-dimethylpropanamide

출처 및 근거

ORD 기록
ord-c41941b756014035b534c861582b3ae3
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI
10.1039/C8SC04228D

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