Ammonium → Tert-butyl 4-(5-(2-aminonicotinoyl)thiazol-2-yl)-1,4-diazepane-1-carboxylate

반응식

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

참가 물질

반응물 3

HCID 223Ammonium

HCID 961Hydroxide

HCID 57690516Tert-butyl 4-(5-(2-fluoronicotinoyl)thiazol-2-yl)-1,4-diazepane-1-carboxylate

생성물 1

HCID 57690802Tert-butyl 4-(5-(2-aminonicotinoyl)thiazol-2-yl)-1,4-diazepane-1-carboxylate

출처 및 근거

ORD 기록: ord-0634db69d4af423f99a9cc4902f41c5d
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D

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