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Sulfuric Acid → 8-Hydroxy-1,2,3,4-tetrahydro-naphthalene-2-carboxylic acid (4-diethylamino-phenyl)-amide

HRID 193408
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HRID 193408 반응식
[B-:39]([F:40])([F:41])([F:42])[F:43].[CH2:20]([CH3:21])[N:22]([c:23]1[cH:24][cH:25][c:26]([NH2:29])[cH:27][cH:28]1)[CH2:30][CH3:31].[CH3:32][CH2:33][N:34]([CH2:35][CH3:36])[CH2:37][CH3:38].[O:61]=[CH:62][N:63]([CH3:64])[CH3:65].[OH:1][c:2]1[cH:3][cH:4][cH:5][c:6]2[c:11]1[CH2:10][CH:9]([C:12](=[O:13])[OH:14])[CH2:8][CH2:7]2.[S:15]([OH:16])([OH:17])(=[O:18])=[O:19].[n:44]1([O:45][C:46]([N:47]([CH3:48])[CH3:49])=[N+:50]([CH3:51])[CH3:52])[c:53]2[cH:54][cH:55][cH:56][cH:57][c:58]2[n:59][n:60]1>>[OH:1][c:2]1[cH:3][cH:4][cH:5][c:6]2[c:11]1[CH2:10][CH:9]([C:12](=[O:14])[NH:29][c:26]1[cH:25][cH:24][c:23]([N:22]([CH2:20][CH3:21])[CH2:30][CH3:31])[cH:28][cH:27]1)[CH2:8][CH2:7]2
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반응물 7

HCID 1118Sulfuric AcidHCID 6228DimethylformamideHCID 7120N,N-Diethyl-p-phenylenediamineHCID 8471TriethylamineHCID 26255TetrafluoroborateHCID 130500O-benzotriazol-1-yl-tetramethyluroniumHCID 219404338-Hydroxy-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid

생성물 1

HCID 443913428-Hydroxy-1,2,3,4-tetrahydro-naphthalene-2-carboxylic acid (4-diethylamino-phenyl)-amide

출처 및 근거

ORD 기록
ord-7bb138e748b94ed6be9a65462def1d90
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI
10.1039/C8SC04228D

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