2-tert-Butyl-4-cyclobutyl-6-(piperazin-1-yl)pyrimidine → Hydrochloric Acid

HRID 1215110노트

반응식

HRID 1215110 반응식
[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[n:6][c:7]([N:15]2[CH2:16][CH2:17][NH:18][CH2:19][CH2:20]2)[cH:8][c:9]([CH:11]2[CH2:12][CH2:13][CH2:14]2)[n:10]1.[Cl:21][CH2:22][CH2:23][CH2:24][CH2:25][N:26]1[C:27](=[O:38])[CH2:28][CH2:29][C:30](=[O:37])[c:31]2[c:32]1[cH:33][cH:34][cH:35][cH:36]2>>[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[n:6][c:7]([N:15]2[CH2:16][CH2:17][N:18]([CH2:22][CH2:23][CH2:24][CH2:25][N:26]3[C:27](=[O:38])[CH2:28][CH2:29][C:30](=[O:37])[c:31]4[c:32]3[cH:33][cH:34][cH:35][cH:36]4)[CH2:19][CH2:20]2)[cH:8][c:9]([CH:11]2[CH2:12][CH2:13][CH2:14]2)[n:10]1.[ClH:21]

참가 물질

4

반응물 2

HCID 666733902-tert-Butyl-4-cyclobutyl-6-(piperazin-1-yl)pyrimidineHCID 685828961-(4-chlorobutyl)-3,4-dihydro-1H-benzo[b]azepine-2,5-dione

생성물 2

HCID 313Hydrochloric AcidHCID 685839191-[4-[4-(2-Tert-butyl-6-cyclobutylpyrimidin-4-yl)piperazin-1-yl]butyl]-3,4-dihydro-1-benzazepine-2,5-dione

출처 및 근거

ORD 기록
ord-2e5e890f9e504bd88248fc6a72a70beb
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

반응 노트

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