3-tert-Butylaniline → 4-[4-(3-Tert-butyl-phenylcarbamoyl)-phenyl]-piperidine-1-carboxylic acid tert-butyl ester

HRID 301044

반응식

HRID 301044 반응식
[C:1](=[O:2])([O:3][C:4]([CH3:5])([CH3:6])[CH3:7])[N:8]1[CH2:9][CH2:10][CH:11]([c:14]2[cH:15][cH:16][c:17]([C:20](=[O:21])[OH:22])[cH:18][cH:19]2)[CH2:12][CH2:13]1.[C:23]([CH3:24])([CH3:25])([CH3:26])[c:27]1[cH:28][c:29]([NH2:30])[cH:31][cH:32][cH:33]1.[C:34]([O:35][C:36]([N:37]1[CH2:38][CH2:39][N:40]([c:41]2[cH:42][cH:43][c:44]([C:45](=[O:46])[NH:47][c:48]3[cH:49][cH:50][cH:51][c:52]([C:53]([CH3:54])([CH3:55])[CH3:56])[cH:57]3)[cH:58][cH:59]2)[CH2:60][CH2:61]1)=[O:62])([CH3:63])([CH3:64])[CH3:65]>>[C:1](=[O:2])([O:3][C:4]([CH3:5])([CH3:6])[CH3:7])[N:8]1[CH2:9][CH2:10][CH:11]([c:14]2[cH:15][cH:16][c:17]([C:20](=[O:22])[NH:30][c:29]3[cH:28][c:27]([C:23]([CH3:24])([CH3:25])[CH3:26])[cH:33][cH:32][cH:31]3)[cH:18][cH:19]2)[CH2:12][CH2:13]1

참가 물질

4

반응물 3

HCID 793343-tert-ButylanilineHCID 224928594-(4-Carboxy-phenyl)-piperidine-1-carboxylic acid tert-butyl esterHCID 593180174-[4-(3-Tert-butyl-phenylcarbamoyl)-phenyl]-piperazine-1-carboxylic acid tert-butyl ester

생성물 1

HCID 593180124-[4-(3-Tert-butyl-phenylcarbamoyl)-phenyl]-piperidine-1-carboxylic acid tert-butyl ester

출처 및 근거

ORD 기록
ord-4ca1562ef7934a09bbf5782c8e26b2b3
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

연결된 노트

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