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Dimethylformamide → Methyl 4-{[(1-{3-[(3,4,5-trimethoxyphenyl)amino]-1,2,4-triazin-6-yl}ethyl)amino]carbonyl}benzoate

HRID 99519
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HRID 99519 반응식
[CH3:23][O:24][C:25](=[O:26])[c:27]1[cH:28][cH:29][c:30]([C:31](=[O:32])[OH:33])[cH:34][cH:35]1.[CH3:69][N:70]([CH3:71])[CH:72]=[O:73].[CH:36]([N:37]([CH:38]([CH3:39])[CH3:40])[CH2:41][CH3:42])([CH3:43])[CH3:44].[NH2:1][CH:2]([CH3:3])[c:4]1[cH:5][n:6][c:7]([NH:10][c:11]2[cH:12][c:13]([O:21][CH3:22])[c:14]([O:19][CH3:20])[c:15]([O:17][CH3:18])[cH:16]2)[n:8][n:9]1.[P-:45]([F:46])([F:47])([F:48])([F:49])([F:50])[F:51].[n:52]1([O:53][C:54]([N:55]([CH3:56])[CH3:57])=[N+:58]([CH3:59])[CH3:60])[c:61]2[n:62][cH:63][cH:64][cH:65][c:66]2[n:67][n:68]1>>[NH:1]([CH:2]([CH3:3])[c:4]1[cH:5][n:6][c:7]([NH:10][c:11]2[cH:12][c:13]([O:21][CH3:22])[c:14]([O:19][CH3:20])[c:15]([O:17][CH3:18])[cH:16]2)[n:8][n:9]1)[C:31]([c:30]1[cH:29][cH:28][c:27]([C:25]([O:24][CH3:23])=[O:26])[cH:35][cH:34]1)=[O:32]
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참가 물질

7

반응물 6

HCID 6228DimethylformamideHCID 9886HexafluorophosphateHCID 15513Monomethyl terephthalateHCID 81531DiisopropylethylamineHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 534044296-(1-aminoethyl)-N-(3,4,5-trimethoxyphenyl)-1,2,4-triazin-3-amine

생성물 1

HCID 58712006Methyl 4-{[(1-{3-[(3,4,5-trimethoxyphenyl)amino]-1,2,4-triazin-6-yl}ethyl)amino]carbonyl}benzoate

출처 및 근거

ORD 기록
ord-b7502245f11743cbafc40cdb842976a9
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI
10.1039/C8SC04228D

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