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Hydrochloric Acid → Methyl 4-(4-(8-(tert-butoxycarbonylamino)octylamino)-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-ylamino)benzoate

HRID 139864
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반응식

HRID 139864 반응식
[CH2:52]1[O:53][CH2:54][CH2:55][CH2:56]1.[CH:43]([N:44]([CH2:45][CH3:46])[CH:47]([CH3:48])[CH3:49])([CH3:50])[CH3:51].[Cl:1][c:2]1[n:3][c:4]([NH:14][c:15]2[cH:16][cH:17][c:18]([C:19](=[O:20])[O:21][CH3:22])[cH:23][cH:24]2)[n:5][c:6]([O:8][CH2:9][C:10]([F:11])([F:12])[F:13])[n:7]1.[ClH:25].[NH2:26][CH2:27][CH2:28][CH2:29][CH2:30][CH2:31][CH2:32][CH2:33][CH2:34][NH:35][C:36]([O:37][C:38]([CH3:39])([CH3:40])[CH3:41])=[O:42]>>[c:2]1([NH:26][CH2:27][CH2:28][CH2:29][CH2:30][CH2:31][CH2:32][CH2:33][CH2:34][NH:35][C:36]([O:37][C:38]([CH3:39])([CH3:40])[CH3:41])=[O:42])[n:3][c:4]([NH:14][c:15]2[cH:16][cH:17][c:18]([C:19](=[O:20])[O:21][CH3:22])[cH:23][cH:24]2)[n:5][c:6]([O:8][CH2:9][C:10]([F:11])([F:12])[F:13])[n:7]1
참가 물질출처 및 근거반응 노트

참가 물질

6

반응물 5

HCID 313Hydrochloric AcidHCID 8028TetrahydrofuranHCID 81531DiisopropylethylamineHCID 4086223Tert-butyl (8-aminooctyl)carbamateHCID 86652469Methyl 4-(4-chloro-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-ylamino)benzoate

생성물 1

HCID 67073817
Methyl 4-(4-(8-(tert-butoxycarbonylamino)octylamino)-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-ylamino)benzoate

출처 및 근거

ORD 기록
ord-dd531a6b0bf14570a51324466a43cc1d
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI
10.1039/C8SC04228D

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