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Dimethylformamide → 4-(4-Fluoro-2-methylindol-5-yl)oxy-6-methoxy-7-(3-(4-methylsulfonylpiperazin-1-yl)propoxy)cinnoline

HRID 180642
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인쇄 미리보기

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HRID 180642 반응식
[CH2:76]([Cl:77])[Cl:78].[CH3:57][S:58](=[O:59])(=[O:60])[N:61]1[CH2:62][CH2:63][N:64]([CH2:67][CH2:68][CH2:69][OH:70])[CH2:65][CH2:66]1.[F:13][c:14]1[c:15]2[cH:16][c:17]([CH3:37])[nH:18][c:19]2[cH:20][cH:21][c:22]1[O:23][c:24]1[cH:25][n:26][n:27][c:28]2[cH:29][c:30]([OH:36])[c:31]([O:34][CH3:35])[cH:32][c:33]12.[O:1]=[C:2]([O:3][CH2:4][CH3:5])[N:6]=[N:7][C:8]([O:9][CH2:10][CH3:11])=[O:12].[O:71]=[CH:72][N:73]([CH3:74])[CH3:75].[c:38]1([P:39]([c:40]2[cH:41][cH:42][cH:43][cH:44][cH:45]2)[c:46]2[cH:47][cH:48][cH:49][cH:50][cH:51]2)[cH:52][cH:53][cH:54][cH:55][cH:56]1>>[F:13][c:14]1[c:15]2[cH:16][c:17]([CH3:37])[nH:18][c:19]2[cH:20][cH:21][c:22]1[O:23][c:24]1[cH:25][n:26][n:27][c:28]2[cH:29][c:30]([O:36][CH2:69][CH2:68][CH2:67][N:64]3[CH2:63][CH2:62][N:61]([S:58]([CH3:57])(=[O:59])=[O:60])[CH2:66][CH2:65]3)[c:31]([O:34][CH3:35])[cH:32][c:33]12
참가 물질출처 및 근거반응 노트

참가 물질

7

반응물 6

HCID 6228DimethylformamideHCID 6344DichloromethaneHCID 11776TriphenylphosphineHCID 220568ethyl N-ethoxycarbonyliminocarbamateHCID 219360993-(4-Methylsulfonylpiperazin-1-yl)propan-1-olHCID 1357497764-(4-Fluoro-2-methylindol-5-yloxy)-7-hydroxy-6-methoxycinnoline

생성물 1

HCID 22490025
4-(4-Fluoro-2-methylindol-5-yl)oxy-6-methoxy-7-(3-(4-methylsulfonylpiperazin-1-yl)propoxy)cinnoline

출처 및 근거

ORD 기록
ord-c4591d9260504a5c87e4dea2b3199b66
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI
10.1039/C8SC04228D

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