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Ethylene Glycol → 5-(2-methyl-[1,3]dioxolan-2-ylmethyl)-1-(4-nitrobenzyl)-1H-indole-2-carboxylic acid ethyl ester

HRID 2321029
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인쇄 미리보기

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HRID 2321029 반응식
[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[c:6]1[n:7]([CH2:19][c:20]2[cH:21][cH:22][c:23]([N+:26](=[O:27])[O-:28])[cH:24][cH:25]2)[c:8]2[cH:9][cH:10][c:11]([CH2:15][C:16]([CH3:17])=[O:18])[cH:12][c:13]2[cH:14]1.[CH3:45][c:46]1[cH:47][cH:48][cH:49][cH:50][cH:51]1.[CH3:52][CH2:53][O:54][C:55](=[O:56])[CH3:57].[OH2:33].[OH:29][CH2:30][CH2:31][OH:32].[c:34]1([CH3:35])[cH:36][cH:37][c:38]([S:39]([OH:40])(=[O:41])=[O:42])[cH:43][cH:44]1>>[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[c:6]1[n:7]([CH2:19][c:20]2[cH:21][cH:22][c:23]([N+:26](=[O:27])[O-:28])[cH:24][cH:25]2)[c:8]2[cH:9][cH:10][c:11]([CH2:15][C:16]3([CH3:17])[O:18][CH2:31][CH2:30][O:29]3)[cH:12][c:13]2[cH:14]1
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반응물 6

HCID 174Ethylene GlycolHCID 962WaterHCID 1140TolueneHCID 6101p-Toluenesulfonic acidHCID 8857Ethyl AcetateHCID 544815121-(4-Nitro-benzyl)-5-(2-oxo-propyl)-1H-indole-2-carboxylic Acid Ethyl Ester

생성물 1

HCID 67598908
5-(2-methyl-[1,3]dioxolan-2-ylmethyl)-1-(4-nitrobenzyl)-1H-indole-2-carboxylic acid ethyl ester

출처 및 근거

ORD 기록
ord-916c59d82bef4c8687fbf3c865b25154
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI
10.1039/C8SC04228D

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