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1,2-Dichloroethane → HCID 178521725, 화합물

HRID 1208388
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HRID 1208388 반응식
[C:23](=[O:24])([OH:25])[O-:26].[CH2:19]([Cl:20])[CH2:21][Cl:22].[F:1][C:2]1([F:8])[CH:3]([C:5](=[O:6])[OH:7])[CH2:4]1.[Na+:27].[O:28]1[CH2:29][CH2:30][N:31]([CH2:34][c:35]2[cH:36][cH:37][c:38]3[c:39]([nH:40][c:41](-[c:43]4[n:44][n:45]([CH:53]5[O:54][CH2:55][CH2:56][CH2:57][CH2:58]5)[c:46]5[cH:47][cH:48][c:49]([NH2:52])[cH:50][c:51]45)[n:42]3)[cH:59]2)[CH2:32][CH2:33]1.[O:60]=[CH:61][N:62]([CH3:63])[CH3:64].[OH:9][n:10]1[c:11]2[c:12]([cH:13][cH:14][cH:15][cH:16]2)[n:17][n:18]1>>[F:1][C:2]1([F:8])[CH:3]([C:5](=[O:6])[NH:52][c:49]2[cH:48][cH:47][c:46]3[n:45]([CH:53]4[O:54][CH2:55][CH2:56][CH2:57][CH2:58]4)[n:44][c:43](-[c:41]4[n:40][c:39]5[c:38]([cH:37][cH:36][c:35]([CH2:34][N:31]6[CH2:30][CH2:29][O:28][CH2:33][CH2:32]6)[cH:59]5)[nH:42]4)[c:51]3[cH:50]2)[CH2:4]1
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참가 물질

8

반응물 7

HCID 111,2-DichloroethaneHCID 769Bicarbonate IonHCID 923Sodium IonHCID 6228DimethylformamideHCID 757711-HydroxybenzotriazoleHCID 27828232,2-Difluorocyclopropane-1-carboxylic acidHCID 1363522593-(6-(morpholinomethyl)-1H-benzo[d]imidazol-2-yl)-1-(tetrahydro-2H-pyran-2-yl)-1H-indazol-5-amine

생성물 1

HCID 178521725HCID 178521725, 화합물

출처 및 근거

ORD 기록
ord-6a34d309883f466a8a4a9dd265be6789
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI
10.1039/C8SC04228D

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