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Dimethylformamide → 5-Cyano-2-(2-cyclobutoxy-3-methyl-benzoylamino)-indan-2-carboxylic acid ethyl ester

HRID 1538918
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HRID 1538918 반응식
[CH2:16]([CH3:17])[O:18][C:19](=[O:20])[C:21]1([NH2:32])[CH2:22][c:23]2[cH:24][cH:25][c:26]([C:30]#[N:31])[cH:27][c:28]2[CH2:29]1.[CH:1]1([O:5][c:6]2[c:7]([C:8](=[O:9])[OH:10])[cH:11][cH:12][cH:13][c:14]2[CH3:15])[CH2:2][CH2:3][CH2:4]1.[CH:57]([N:58]([CH2:59][CH3:60])[CH:61]([CH3:62])[CH3:63])([CH3:64])[CH3:65].[O:66]=[CH:67][N:68]([CH3:69])[CH3:70].[P-:33]([F:34])([F:35])([F:36])([F:37])([F:38])[F:39].[n:40]1([O:41][C:42]([N:43]([CH3:44])[CH3:45])=[N+:46]([CH3:47])[CH3:48])[c:49]2[n:50][cH:51][cH:52][cH:53][c:54]2[n:55][n:56]1>>[CH:1]1([O:5][c:6]2[c:7]([C:8](=[O:10])[NH:32][C:21]3([C:19]([O:18][CH2:16][CH3:17])=[O:20])[CH2:22][c:23]4[cH:24][cH:25][c:26]([C:30]#[N:31])[cH:27][c:28]4[CH2:29]3)[cH:11][cH:12][cH:13][c:14]2[CH3:15])[CH2:2][CH2:3][CH2:4]1
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참가 물질

7

반응물 6

HCID 6228DimethylformamideHCID 9886HexafluorophosphateHCID 81531DiisopropylethylamineHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 593141522-Amino-5-cyano-indan-2-carboxylic acid ethyl esterHCID 593141552-Cyclobutyloxy-3-methylbenzoic acid

생성물 1

HCID 593141915-Cyano-2-(2-cyclobutoxy-3-methyl-benzoylamino)-indan-2-carboxylic acid ethyl ester

출처 및 근거

ORD 기록
ord-e745bc6fcbbc4079a8f76ad399dc55d8
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI
10.1039/C8SC04228D

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