Dichloromethane → (1-methyl-cyclohexyl)-[2-(4-piperazin-1-yl-phenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-methanone

HRID 1231768

반응식

HRID 1231768 반응식
[C:1]([O:2][C:3](=[O:4])[N:8]1[CH2:9][CH2:10][N:11]([c:14]2[cH:15][cH:16][c:17](-[c:20]3[n:21][c:22]4[c:23]([n:24][cH:25]3)[nH:26][cH:27][c:28]4[C:29](=[O:30])[C:31]3([CH3:37])[CH2:32][CH2:33][CH2:34][CH2:35][CH2:36]3)[cH:18][cH:19]2)[CH2:12][CH2:13]1)([CH3:5])([CH3:6])[CH3:7].[Cl:45][CH2:46][Cl:47].[F:38][C:39]([F:40])([F:41])[C:42]([OH:43])=[O:44]>>[NH:8]1[CH2:9][CH2:10][N:11]([c:14]2[cH:15][cH:16][c:17](-[c:20]3[n:21][c:22]4[c:23]([n:24][cH:25]3)[nH:26][cH:27][c:28]4[C:29](=[O:30])[C:31]3([CH3:37])[CH2:32][CH2:33][CH2:34][CH2:35][CH2:36]3)[cH:18][cH:19]2)[CH2:12][CH2:13]1

참가 물질

4

반응물 3

HCID 6344DichloromethaneHCID 6422Trifluoroacetic acidHCID 595406974-{4-[7-(1-Methyl-cyclohexanecarbonyl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]-phenyl}-piperazine-1-carboxylic acid tert-butyl ester

생성물 1

HCID 59540630(1-methyl-cyclohexyl)-[2-(4-piperazin-1-yl-phenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-methanone

출처 및 근거

ORD 기록
ord-b4cfe3115e684c57842b965fb0560504
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

연결된 노트

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