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Ethanol → Tert-butyl 5-[(2-chloropyrimidin-4-yl)amino]-1-methyl-1H-benzimidazol-2-yl(phenyl)carbamate

HRID 87375
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인쇄 미리보기

반응식

HRID 87375 반응식
[CH2:39]1[O:40][CH2:41][CH2:42][CH2:43]1.[CH3:44][CH2:45][OH:46].[Cl:31][c:32]1[n:33][cH:34][cH:35][c:36]([Cl:38])[n:37]1.[NH2:1][c:2]1[cH:3][c:4]2[c:5]([n:6]([CH3:23])[c:7]([N:9]([C:10]([O:11][C:12]([CH3:13])([CH3:14])[CH3:15])=[O:16])[c:17]3[cH:18][cH:19][cH:20][cH:21][cH:22]3)[n:8]2)[cH:24][cH:25]1.[Na+:30].[O-:26][C:27]([OH:28])=[O:29]>>[NH:1]([c:2]1[cH:3][c:4]2[c:5]([n:6]([CH3:23])[c:7]([N:9]([C:10]([O:11][C:12]([CH3:13])([CH3:14])[CH3:15])=[O:16])[c:17]3[cH:18][cH:19][cH:20][cH:21][cH:22]3)[n:8]2)[cH:24][cH:25]1)[c:36]1[cH:35][cH:34][n:33][c:32]([Cl:31])[n:37]1
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반응물 6

HCID 702EthanolHCID 769Bicarbonate IonHCID 923Sodium IonHCID 8028TetrahydrofuranHCID 775312,4-DichloropyrimidineHCID 59674190tert-butyl 5-amino-1-methyl-1H-benzimidazol-2-yl(phenyl)carbamate

생성물 1

HCID 59674250
Tert-butyl 5-[(2-chloropyrimidin-4-yl)amino]-1-methyl-1H-benzimidazol-2-yl(phenyl)carbamate

출처 및 근거

ORD 기록
ord-86ed432599954908b047e2a86b42bfdb
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI
10.1039/C8SC04228D

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