4-Methyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-2H-1,4-benzoxazine → (1-Methyl-cyclohexyl)-[2-(4-methyl-3,4-dihydro-2H-benzo[1,4]oxazin-7-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-methanone

HRID 135513

반응식

HRID 135513 반응식
[Br:1][c:2]1[n:3][c:4]2[c:5]([n:6][cH:7]1)[nH:8][cH:9][c:10]2[C:11](=[O:12])[C:13]1([CH3:19])[CH2:14][CH2:15][CH2:16][CH2:17][CH2:18]1.[CH3:20][N:21]1[CH2:22][CH2:23][O:24][c:25]2[c:26]1[cH:27][cH:28][c:29]([B:31]1[O:32][C:33]([CH3:34])([CH3:35])[C:36]([CH3:37])([CH3:38])[O:39]1)[cH:30]2>>[c:2]1(-[c:29]2[cH:28][cH:27][c:26]3[c:25]([cH:30]2)[O:24][CH2:23][CH2:22][N:21]3[CH3:20])[n:3][c:4]2[c:5]([n:6][cH:7]1)[nH:8][cH:9][c:10]2[C:11](=[O:12])[C:13]1([CH3:19])[CH2:14][CH2:15][CH2:16][CH2:17][CH2:18]1

참가 물질

3

반응물 2

HCID 27953014-Methyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-2H-1,4-benzoxazineHCID 44199730(2-bromo-5H-pyrrolo[2,3-b]pyrazin-7-yl)-(1-methyl-cyclohexyl)-methanone

생성물 1

HCID 44192593(1-Methyl-cyclohexyl)-[2-(4-methyl-3,4-dihydro-2H-benzo[1,4]oxazin-7-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-methanone

출처 및 근거

ORD 기록
ord-a86d0401de534518af8560934179e711
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

연결된 노트

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