Ammonium → Tert-butyl 4-(3-(2-aminonicotinoyl)isoquinolin-1-yl)-1,4-diazepane-1-carboxylate

반응식

[F:1][c:2]1[c:3]([C:4](=[O:5])[c:6]2[n:7][c:8]([N:16]3[CH2:17][CH2:18][N:19]([C:23](=[O:24])[O:25][C:26]([CH3:27])([CH3:28])[CH3:29])[CH2:20][CH2:21][CH2:22]3)[c:9]3[cH:10][cH:11][cH:12][cH:13][c:14]3[cH:15]2)[cH:30][cH:31][cH:32][n:33]1.[NH4+:34].[OH-:35]>>[c:2]1([NH2:34])[c:3]([C:4](=[O:5])[c:6]2[n:7][c:8]([N:16]3[CH2:17][CH2:18][N:19]([C:23](=[O:24])[O:25][C:26]([CH3:27])([CH3:28])[CH3:29])[CH2:20][CH2:21][CH2:22]3)[c:9]3[cH:10][cH:11][cH:12][cH:13][c:14]3[cH:15]2)[cH:30][cH:31][cH:32][n:33]1

참가 물질

반응물 3

HCID 223Ammonium

HCID 961Hydroxide

HCID 57690632Tert-butyl 4-(3-(2-fluoronicotinoyl)isoquinolin-1-yl)-1,4-diazepane-1-carboxylate

생성물 1

HCID 57690466Tert-butyl 4-(3-(2-aminonicotinoyl)isoquinolin-1-yl)-1,4-diazepane-1-carboxylate

출처 및 근거

ORD 기록: ord-21c8726a242f4c5b979df024f4f40d77
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D

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