3-(3-Cyano-phenyl)-3-oxo-propionic acid tert-butyl ester → tert-butyl N-[2-[[3-(3-cyanophenyl)-3-oxopropanoyl]amino]-5-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-4-(2-fluorophenyl)phenyl]carbamate

HRID 110157

반응식

HRID 110157 반응식
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([NH:7][c:8]1[cH:9][c:10]([N:22]2[CH2:23][CH2:24][C:25]3([O:26][CH2:27][CH2:28][O:29]3)[CH2:30][CH2:31]2)[c:11](-[c:15]2[c:16]([F:21])[cH:17][cH:18][cH:19][cH:20]2)[cH:12][c:13]1[NH2:14])=[O:32].[C:33]([CH3:35])([CH3:36])([O:37][C:38](=[O:34])[CH2:39][C:40](=[O:41])[c:42]1[cH:43][c:44]([C:48]#[N:49])[cH:45][cH:46][cH:47]1)[CH3:50]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([NH:7][c:8]1[cH:9][c:10]([N:22]2[CH2:23][CH2:24][C:25]3([O:26][CH2:27][CH2:28][O:29]3)[CH2:30][CH2:31]2)[c:11](-[c:15]2[c:16]([F:21])[cH:17][cH:18][cH:19][cH:20]2)[cH:12][c:13]1[NH:14][C:38](=[O:37])[CH2:39][C:40](=[O:41])[c:42]1[cH:43][c:44]([C:48]#[N:49])[cH:45][cH:46][cH:47]1)=[O:32]

참가 물질

3

반응물 2

HCID 695928893-(3-Cyano-phenyl)-3-oxo-propionic acid tert-butyl esterHCID 70001318tert-butyl N-[2-amino-5-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-4-(2-fluorophenyl)phenyl]carbamate

생성물 1

HCID 86758254tert-butyl N-[2-[[3-(3-cyanophenyl)-3-oxopropanoyl]amino]-5-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-4-(2-fluorophenyl)phenyl]carbamate

출처 및 근거

ORD 기록
ord-cf51bfc71975465cad2f05fa29102785
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

연결된 노트

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