Tert-butyl 4-(6-aminopyridin-3-yl)-1,4-diazepane-1-carboxylate → 4-[6-(6-cyano-7-cyclopentyl-7H-pyrrolo[2,3-d]pyrimidin-2-ylamino)-pyridin-3-yl]-[1,4]diazepane-1-carboxylic acid tert-butyl ester

반응식

[C:18]([CH3:19])([CH3:20])([CH3:21])[O:22][C:23](=[O:24])[N:25]1[CH2:26][CH2:27][N:28]([c:32]2[cH:33][n:34][c:35]([NH2:38])[cH:36][cH:37]2)[CH2:29][CH2:30][CH2:31]1.[Cl:1][c:2]1[n:3][cH:4][c:5]2[c:6]([n:7]1)[n:8]([CH:13]1[CH2:14][CH2:15][CH2:16][CH2:17]1)[c:9]([C:11]#[N:12])[cH:10]2>>[c:2]1([NH:38][c:35]2[n:34][cH:33][c:32]([N:28]3[CH2:27][CH2:26][N:25]([C:23]([O:22][C:18]([CH3:19])([CH3:20])[CH3:21])=[O:24])[CH2:31][CH2:30][CH2:29]3)[cH:37][cH:36]2)[n:3][cH:4][c:5]2[c:6]([n:7]1)[n:8]([CH:13]1[CH2:14][CH2:15][CH2:16][CH2:17]1)[c:9]([C:11]#[N:12])[cH:10]2

참가 물질

반응물 2

HCID 58315396Tert-butyl 4-(6-aminopyridin-3-yl)-1,4-diazepane-1-carboxylate

HCID 583154152-chloro-7-cyclopentyl-7H-pyrrolo[2,3-d]pyrimidine-6-carbonitrile

생성물 1

HCID 583154594-[6-(6-cyano-7-cyclopentyl-7H-pyrrolo[2,3-d]pyrimidin-2-ylamino)-pyridin-3-yl]-[1,4]diazepane-1-carboxylic acid tert-butyl ester

출처 및 근거

ORD 기록: ord-7043c5a95184466b8c70075aa6a6f63d
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D

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