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Bicarbonate Ion → Methyl 4-chloro-2-(4-ethylpiperazin-1-yl)-6-(m-tolylamino)pyrimidine-5-carboxylate

HRID 1150275
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HRID 1150275 반응식
[CH2:21]([N:22]([CH:23]([CH3:24])[CH3:25])[CH:26]([CH3:27])[CH3:28])[CH3:29].[CH2:30]([CH3:31])[N:32]1[CH2:33][CH2:34][NH:35][CH2:36][CH2:37]1.[CH2:43]1[O:44][CH2:45][CH2:46][CH2:47]1.[Cl:1][c:2]1[n:3][c:4]([NH:13][c:14]2[cH:15][c:16]([CH3:20])[cH:17][cH:18][cH:19]2)[c:5]([C:9](=[O:10])[O:11][CH3:12])[c:6]([Cl:8])[n:7]1.[Na+:42].[O-:38][C:39]([OH:40])=[O:41]>>[c:2]1([N:35]2[CH2:34][CH2:33][N:32]([CH2:30][CH3:31])[CH2:37][CH2:36]2)[n:3][c:4]([NH:13][c:14]2[cH:15][c:16]([CH3:20])[cH:17][cH:18][cH:19]2)[c:5]([C:9](=[O:10])[O:11][CH3:12])[c:6]([Cl:8])[n:7]1
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반응물 6

HCID 769Bicarbonate IonHCID 923Sodium IonHCID 8028TetrahydrofuranHCID 791961-EthylpiperazineHCID 81531DiisopropylethylamineHCID 58317610Methyl 2,4-dichloro-6-(m-tolylamino)pyrimidine-5-carboxylate

생성물 1

HCID 58317524
Methyl 4-chloro-2-(4-ethylpiperazin-1-yl)-6-(m-tolylamino)pyrimidine-5-carboxylate

출처 및 근거

ORD 기록
ord-369d3e54c2c44358b13615db58961c50
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI
10.1039/C8SC04228D

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