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Acetic Acid → Methyl 3-bromo-6-chloro-5-[4-[6-(4-fluorophenyl)-2-(3-methylmorpholin-4-yl)pyrimidin-4-yl]-3-methylpiperazin-1-yl]pyrazine-2-carboxylate

HRID 296935
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HRID 296935 반응식
[Br:40].[BrH:45].[CH3:1][O:2][C:3](=[O:4])[c:5]1[n:6][c:7]([Cl:39])[c:8]([N:12]2[CH2:13][CH:14]([CH3:38])[N:15]([c:18]3[n:19][c:20]([N:31]4[CH:32]([CH3:37])[CH2:33][O:34][CH2:35][CH2:36]4)[n:21][c:22](-[c:24]4[cH:25][cH:26][c:27]([F:30])[cH:28][cH:29]4)[cH:23]3)[CH2:16][CH2:17]2)[n:9][c:10]1[NH2:11].[CH3:46][C:47](=[O:48])[OH:49].[N:41]([O-:42])=[O:43].[Na+:44].[OH2:50]>>[CH3:1][O:2][C:3](=[O:4])[c:5]1[n:6][c:7]([Cl:39])[c:8]([N:12]2[CH2:13][CH:14]([CH3:38])[N:15]([c:18]3[n:19][c:20]([N:31]4[CH:32]([CH3:37])[CH2:33][O:34][CH2:35][CH2:36]4)[n:21][c:22](-[c:24]4[cH:25][cH:26][c:27]([F:30])[cH:28][cH:29]4)[cH:23]3)[CH2:16][CH2:17]2)[n:9][c:10]1[Br:45]
참가 물질출처 및 근거반응 노트

참가 물질

7

반응물 6

HCID 176Acetic AcidHCID 260Hydrogen Bromide2회HCID 923Sodium IonHCID 946NitriteHCID 962WaterHCID 72236431Methyl 3-amino-6-chloro-5-[4-[6-(4-fluorophenyl)-2-(3-methylmorpholin-4-yl)pyrimidin-4-yl]-3-methylpiperazin-1-yl]pyrazine-2-carboxylate

생성물 1

HCID 72236438
Methyl 3-bromo-6-chloro-5-[4-[6-(4-fluorophenyl)-2-(3-methylmorpholin-4-yl)pyrimidin-4-yl]-3-methylpiperazin-1-yl]pyrazine-2-carboxylate

출처 및 근거

ORD 기록
ord-d3c4e6db4a0f4c01887799f4e36f67a1
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI
10.1039/C8SC04228D

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