Methanol → tert-butyl N-[4-[[(3-amino-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-6-carbonyl)amino]methyl]benzenecarboximidoyl]carbamate

반응식

[CH2:1]([O:2][C:3](=[O:4])[NH:10][c:11]1[cH:12][n:13][c:14]2[n:15]([c:16]1=[O:17])[CH:18]([C:21]([NH:22][CH2:23][c:24]1[cH:25][cH:26][c:27]([C:30](=[NH:31])[NH:32][C:33](=[O:34])[O:35][C:36]([CH3:37])([CH3:38])[CH3:39])[cH:28][cH:29]1)=[O:40])[CH2:19][CH2:20]2)[c:5]1[cH:6][cH:7][cH:8][cH:9][cH:41]1.[CH3:42][OH:43]>>[NH2:10][c:11]1[cH:12][n:13][c:14]2[n:15]([c:16]1=[O:17])[CH:18]([C:21]([NH:22][CH2:23][c:24]1[cH:25][cH:26][c:27]([C:30](=[NH:31])[NH:32][C:33](=[O:34])[O:35][C:36]([CH3:37])([CH3:38])[CH3:39])[cH:28][cH:29]1)=[O:40])[CH2:19][CH2:20]2

참가 물질

반응물 2

HCID 887Methanol

HCID 145857201benzyl N-[6-[[4-[N-[(2-methylpropan-2-yl)oxycarbonyl]carbamimidoyl]phenyl]methylcarbamoyl]-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-3-yl]carbamate

생성물 1

HCID 173190660tert-butyl N-[4-[[(3-amino-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-6-carbonyl)amino]methyl]benzenecarboximidoyl]carbamate

출처 및 근거

ORD 기록: ord-8603706e544641059014bd2505fbd37d
출처 데이터셋: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D

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