Dimethylamine → Gsk-1070916

반응식

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

참가 물질

반응물 3

HCID 674Dimethylamine

HCID 8028Tetrahydrofuran

HCID 58980006N'-(4-{1-ethyl-4-[2-(3-formylphenyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-1H-pyrazol-3-yl}phenyl)-N,N-dimethylurea

생성물 1

HCID 46885626Gsk-1070916

출처 및 근거

ORD 기록: ord-94af7a3fbb6d493b92be73435a4c93f4
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D

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