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Sodium Ion → Tert-butyl 4-[4-(4-amino-5-bromopyrrolo[2,1-f][1,2,4]triazin-7-yl)phenyl]piperazine-1-carboxylate

HRID 134990
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HRID 134990 반응식
[Br:30][N:31]1[C:32]([CH3:33])([CH3:34])[C:35](=[O:36])[N:37]([Br:38])[C:39]1=[O:40].[NH2:1][c:2]1[n:3][cH:4][n:5][n:6]2[c:7]1[cH:8][cH:9][c:10]2-[c:11]1[cH:12][cH:13][c:14]([N:17]2[CH2:18][CH2:19][N:20]([C:23](=[O:24])[O:25][C:26]([CH3:27])([CH3:28])[CH3:29])[CH2:21][CH2:22]2)[cH:15][cH:16]1.[Na+:45].[Na+:46].[O:47]1[CH2:48][CH2:49][CH2:50][CH2:51]1.[S:41]([O-:42])([O-:43])=[O:44]>>[NH2:1][c:2]1[n:3][cH:4][n:5][n:6]2[c:7]1[c:8]([Br:30])[cH:9][c:10]2-[c:11]1[cH:12][cH:13][c:14]([N:17]2[CH2:18][CH2:19][N:20]([C:23](=[O:24])[O:25][C:26]([CH3:27])([CH3:28])[CH3:29])[CH2:21][CH2:22]2)[cH:15][cH:16]1
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반응물 5

HCID 923Sodium Ion2회HCID 1099SulfiteHCID 64791,3-Dibromo-5,5-dimethylhydantoinHCID 8028TetrahydrofuranHCID 58529456Tert-butyl 4-[4-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)phenyl]piperazine-1-carboxylate

생성물 1

HCID 58529297
Tert-butyl 4-[4-(4-amino-5-bromopyrrolo[2,1-f][1,2,4]triazin-7-yl)phenyl]piperazine-1-carboxylate

출처 및 근거

ORD 기록
ord-1a647b18dafe450bab4fae3840092fac
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI
10.1039/C8SC04228D

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