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Ethanol → 3-Azulen-1-ylmethylene-2-oxo-2,3-dihydro-1H-indole-5-sulfonicacid dimethylamide

HRID 1554292
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HRID 1554292 반응식
[CH2:29]1[CH2:30][NH:31][CH2:32][CH2:33]1.[CH3:1][N:2]([S:3](=[O:4])(=[O:5])[c:6]1[cH:7][c:8]2[c:12]([cH:13][cH:14]1)[NH:11][C:10](=[O:15])[CH2:9]2)[CH3:16].[CH3:34][CH2:35][OH:36].[c:17]1([CH:27]=[O:28])[cH:18][cH:19][c:20]2[cH:21][cH:22][cH:23][cH:24][cH:25][c:26]1-2>>[CH3:1][N:2]([S:3](=[O:4])(=[O:5])[c:6]1[cH:7][c:8]2[c:12]([cH:13][cH:14]1)[NH:11][C:10](=[O:15])[C:9]2=[CH:27][c:17]1[cH:18][cH:19][c:20]2[cH:21][cH:22][cH:23][cH:24][cH:25][c:26]1-2)[CH3:16]
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5

반응물 4

HCID 702EthanolHCID 31268PyrrolidineHCID 98161852-Oxo-2,3-dihydro-1H-indole-5-sulfonic acid dimethylamideHCID 117448701-Azulene carboxyaldehyde

생성물 1

HCID 685824573-Azulen-1-ylmethylene-2-oxo-2,3-dihydro-1H-indole-5-sulfonicacid dimethylamide

출처 및 근거

ORD 기록
ord-5b41b2cbcad54b57b9e02c921b67f2e0
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI
10.1039/C8SC04228D

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