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1-Butanol → 5-Amino-6-chloro-4-[5-(3-fluoro-5-morpholinobenzamido) 2-methylanilino]pyrimidine

HRID 101555
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HRID 101555 반응식
[CH2:54]([OH:55])[CH2:56][CH2:57][CH3:58].[CH3:42][CH2:43][CH2:44][CH:45]([CH3:46])[CH3:47].[CH3:48][CH2:49][O:50][CH2:51][CH3:52].[CH:35]([NH:36][CH:37]([CH3:38])[CH3:39])([CH3:40])[CH3:41].[ClH:1].[NH2:11][c:12]1[cH:13][c:14]([NH:19][C:20]([c:21]2[cH:22][c:23]([F:33])[cH:24][c:25]([N:27]3[CH2:28][CH2:29][O:30][CH2:31][CH2:32]3)[cH:26]2)=[O:34])[cH:15][cH:16][c:17]1[CH3:18].[NH2:2][c:3]1[c:4]([Cl:10])[n:5][cH:6][n:7][c:8]1[Cl:9].[OH2:53]>>[NH2:2][c:3]1[c:4]([Cl:10])[n:5][cH:6][n:7][c:8]1[NH:11][c:12]1[cH:13][c:14]([NH:19][C:20]([c:21]2[cH:22][c:23]([F:33])[cH:24][c:25]([N:27]3[CH2:28][CH2:29][O:30][CH2:31][CH2:32]3)[cH:26]2)=[O:34])[cH:15][cH:16][c:17]1[CH3:18]
참가 물질출처 및 근거반응 노트

참가 물질

9

반응물 8

HCID 2631-ButanolHCID 313Hydrochloric AcidHCID 962WaterHCID 3283Diethyl EtherHCID 78922-MethylpentaneHCID 7912DiisopropylamineHCID 794345-Amino-4,6-dichloropyrimidine
HCID 11450304
N-(3-amino-4-methylphenyl)-3-fluoro-5-morpholinobenzamide

생성물 1

HCID 867595915-Amino-6-chloro-4-[5-(3-fluoro-5-morpholinobenzamido) 2-methylanilino]pyrimidine

출처 및 근거

ORD 기록
ord-ad4de28c4ed84d36a1b71d9ca1ca063d
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI
10.1039/C8SC04228D

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