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Sodium Ion → 7-(2,3-Dichlorophenyl)-1,12-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-5(16),6,8-triene

HRID 702621
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HRID 702621 반응식
[CH2:41]([Cl:42])[Cl:43].[Cl:1][c:2]1[c:3](-[c:9]2[cH:10][c:11]3[c:16]4[c:17]([cH:18]2)[CH:19]2[CH:20]([N:15]4[CH2:14][CH2:13][CH2:12]3)[CH2:21][CH2:22][N:23]([C:25]([O:26][C:27]([CH3:28])([CH3:29])[CH3:30])=[O:31])[CH2:24]2)[cH:4][cH:5][cH:6][c:7]1[Cl:8].[F:34][C:35]([F:36])([F:37])[C:38]([OH:39])=[O:40].[Na+:33].[OH-:32]>>[Cl:1][c:2]1[c:3](-[c:9]2[cH:10][c:11]3[c:16]4[c:17]([cH:18]2)[CH:19]2[CH:20]([N:15]4[CH2:14][CH2:13][CH2:12]3)[CH2:21][CH2:22][NH:23][CH2:24]2)[cH:4][cH:5][cH:6][c:7]1[Cl:8]
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HCID 923Sodium IonHCID 961HydroxideHCID 6344DichloromethaneHCID 6422Trifluoroacetic acidHCID 11753935Tert-butyl 7-(2,3-dichlorophenyl)-1,12-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-5(16),6,8-triene-12-carboxylate

생성물 1

HCID 100213557-(2,3-Dichlorophenyl)-1,12-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-5(16),6,8-triene

출처 및 근거

ORD 기록
ord-7030fa3656ab4abd9918619df323edf3
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI
10.1039/C8SC04228D

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