Methanol → (2-{2-[2-cyclopentyl-1-(4-methanesulfonyl-phenyl)-ethyl]-1H-pyrrolo[2,3-b]pyridin-5-yloxy}-ethyl)-dimethyl-amine

반응식

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

참가 물질

반응물 2

HCID 887Methanol

HCID 67227945(2-{2-[2-cyclopentyl-1-(4-methanesulfonyl-phenyl)-vinyl]-1H-pyrrolo[2,3-b]pyridin-5-yloxy}-ethyl)-dimethyl-amine

생성물 1

HCID 53250587(2-{2-[2-cyclopentyl-1-(4-methanesulfonyl-phenyl)-ethyl]-1H-pyrrolo[2,3-b]pyridin-5-yloxy}-ethyl)-dimethyl-amine

출처 및 근거

ORD 기록: ord-7ece967f99ac4b9593cfcee87e88fe26
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D

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