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Water → 1H-Indole-7-carboxylic acid (4-tert-butyl-benzyl)-phenethyl-amide

HRID 149676
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HRID 149676 반응식
[B-:13]([F:14])([F:15])([F:16])[F:17].[C:44]([CH3:45])([CH3:46])([CH3:47])[c:48]1[cH:49][cH:50][c:51]([CH2:52][NH:53][CH2:54][CH2:55][c:56]2[cH:57][cH:58][cH:59][cH:60][cH:61]2)[cH:62][cH:63]1.[CH:35]([N:36]([CH2:37][CH3:38])[CH:39]([CH3:40])[CH3:41])([CH3:42])[CH3:43].[O:64]=[CH:65][N:66]([CH3:67])[CH3:68].[OH2:69].[n:18]1([O:19][C:20]([N:21]([CH3:22])[CH3:23])=[N+:24]([CH3:25])[CH3:26])[c:27]2[cH:28][cH:29][cH:30][cH:31][c:32]2[n:33][n:34]1.[nH:1]1[cH:2][cH:3][c:4]2[cH:5][cH:6][cH:7][c:8]([C:10](=[O:11])[OH:12])[c:9]12>>[nH:1]1[cH:2][cH:3][c:4]2[cH:5][cH:6][cH:7][c:8]([C:10](=[O:12])[N:53]([CH2:52][c:51]3[cH:50][cH:49][c:48]([C:44]([CH3:45])([CH3:46])[CH3:47])[cH:63][cH:62]3)[CH2:54][CH2:55][c:56]3[cH:57][cH:58][cH:59][cH:60][cH:61]3)[c:9]12
참가 물질출처 및 근거반응 노트

참가 물질

8

반응물 7

HCID 962WaterHCID 6228DimethylformamideHCID 26255TetrafluoroborateHCID 742811H-Indole-7-carboxylic acidHCID 81531DiisopropylethylamineHCID 130500O-benzotriazol-1-yl-tetramethyluroniumHCID 4559933(4-Tert-butyl-benzyl)-phenethyl-amine

생성물

1
HCID 866030681H-Indole-7-carboxylic acid (4-tert-butyl-benzyl)-phenethyl-amide

출처 및 근거

ORD 기록
ord-8228177b2ce74b69b66125d73e7d6c0e
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI
10.1039/C8SC04228D

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