Water → 2-(N-tert-butoxycarbonyl-1,2,3,4-tetrahydroisoquinolin-5-yl)carbonyl-4-chloro-aniline

HRID 182803

반응식

HRID 182803 반응식
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][c:10]2[cH:11][cH:12][cH:13][c:14]([Br:18])[c:15]2[CH2:16][CH2:17]1.[CH2:33]([Li:34])[CH2:35][CH2:36][CH3:37].[CH3:19][N:20]([C:21]([c:22]1[c:23]([NH2:29])[cH:24][cH:25][c:26]([Cl:28])[cH:27]1)=[O:30])[O:31][CH3:32].[O:39]1[CH2:40][CH2:41][CH2:42][CH2:43]1.[OH2:38]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][c:10]2[cH:11][cH:12][cH:13][c:14]([C:21]([c:22]3[c:23]([NH2:29])[cH:24][cH:25][c:26]([Cl:28])[cH:27]3)=[O:30])[c:15]2[CH2:16][CH2:17]1

참가 물질

6

반응물 5

HCID 962WaterHCID 8028TetrahydrofuranHCID 18315369tert-Butyl 5-bromo-3,4-dihydroisoquinoline-2(1H)-carboxylateHCID 222266052-amino-5-chloro-N-methoxy-N-methylbenzamideHCID 178418339Butyllithium

생성물 1

HCID 183153442-(N-tert-butoxycarbonyl-1,2,3,4-tetrahydroisoquinolin-5-yl)carbonyl-4-chloro-aniline

출처 및 근거

ORD 기록
ord-e06d84bfd8314c199361f4583c87b350
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

연결된 노트

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