Neopentylamine → 1-[2-[3-(2,2-Dimethyl-propylamino)-phenyl]-5-(2-trimethylsilanyl-ethoxymethyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-2,2-dimethyl-propan-1-one

반응식

[CH3:31][C:32]([CH2:33][NH2:34])([CH3:35])[CH3:36].[I:1][c:2]1[cH:3][c:4](-[c:8]2[n:9][c:10]3[c:11]([n:12][cH:13]2)[n:14]([CH2:23][O:24][CH2:25][CH2:26][Si:27]([CH3:28])([CH3:29])[CH3:30])[cH:15][c:16]3[C:17]([C:18]([CH3:19])([CH3:20])[CH3:21])=[O:22])[cH:5][cH:6][cH:7]1>>[c:2]1([NH:34][CH2:33][C:32]([CH3:31])([CH3:35])[CH3:36])[cH:3][c:4](-[c:8]2[n:9][c:10]3[c:11]([n:12][cH:13]2)[n:14]([CH2:23][O:24][CH2:25][CH2:26][Si:27]([CH3:28])([CH3:29])[CH3:30])[cH:15][c:16]3[C:17]([C:18]([CH3:19])([CH3:20])[CH3:21])=[O:22])[cH:5][cH:6][cH:7]1

참가 물질

반응물 2

HCID 79882Neopentylamine

HCID 595405201-[2-(3-iodo-phenyl)-5-(2-trimethylsilanyl-ethoxymethyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-2,2-dimethyl-propan-1-one

생성물 1

HCID 673450701-[2-[3-(2,2-Dimethyl-propylamino)-phenyl]-5-(2-trimethylsilanyl-ethoxymethyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-2,2-dimethyl-propan-1-one

출처 및 근거

ORD 기록: ord-dd7a38089af743cf9b8c1a281b79b3b2
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D

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