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Dimethyl Sulfoxide → HCID 178463453, 화합물

HRID 1237961
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HRID 1237961 반응식
[CH3:72][S:73]([CH3:74])=[O:75].[CH:54]([N:55]([CH:56]([CH3:57])[CH3:58])[CH2:59][CH3:60])([CH3:61])[CH3:62].[Cl:1][c:2]1[cH:3][c:4]2[c:5]([NH:15][CH:16]([CH3:17])[c:18]3[n:19][c:20]4[c:21]([nH:22]3)[cH:23][cH:24][c:25]([Cl:27])[cH:26]4)[n:6][cH:7][n:8][c:9]2[cH:10][c:11]1[C:12](=[O:13])[OH:14].[F:35][CH:36]([F:37])[N+:38]([C:39]([F:40])([F:41])[F:42])=[C:43]([N:44]([c:45]1[cH:46][cH:47][cH:48][cH:49][cH:50]1)[CH3:51])[O:52][CH3:53].[P-:28]([F:29])([F:30])([F:31])([F:32])([F:33])[F:34].[nH:63]1[cH:64][n:65][c:66]2[c:71]1[CH2:70][CH2:69][NH:68][CH2:67]2>>[Cl:1][c:2]1[cH:3][c:4]2[c:5]([NH:15][CH:16]([CH3:17])[c:18]3[n:19][c:20]4[c:21]([nH:22]3)[cH:23][cH:24][c:25]([Cl:27])[cH:26]4)[n:6][cH:7][n:8][c:9]2[cH:10][c:11]1[C:12](=[O:14])[N:68]1[CH2:67][c:66]2[n:65][cH:64][nH:63][c:71]2[CH2:70][CH2:69]1
참가 물질출처 및 근거반응 노트

참가 물질

7

반응물 6

HCID 679Dimethyl SulfoxideHCID 9886HexafluorophosphateHCID 81531DiisopropylethylamineHCID 86594256difluoromethyl-[methoxy-(N-methylanilino)methylidene]-(trifluoromethyl)azaniumHCID 178420865HCID 178420865, 화합물HCID 1784635046-chloro-4-(1-(5-chloro-1H-benzimidazol-2-yl)-ethylamino]-7-hydroxycarbonyl-quinazoline

생성물

1
HCID 178463453HCID 178463453, 화합물

출처 및 근거

ORD 기록
ord-6ee7f551f0854e599fb30e56417c5b93
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI
10.1039/C8SC04228D

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