Tetrahydrofuran → 3-(1-Benzyl-piperidin-4-yl)1,3,4,5-tetrahydro-benzo[d][1,3]diazepin-2-one

반응식

[C:24](=[O:25])([c:26]1[nH:27][cH:28][cH:29][n:30]1)[c:31]1[nH:32][cH:33][cH:34][n:35]1.[NH2:1][c:2]1[c:3]([CH2:8][CH2:9][NH:10][CH:11]2[CH2:12][CH2:13][N:14]([CH2:17][c:18]3[cH:19][cH:20][cH:21][cH:22][cH:23]3)[CH2:15][CH2:16]2)[cH:4][cH:5][cH:6][cH:7]1.[O:36]1[CH2:37][CH2:38][CH2:39][CH2:40]1>>[NH:1]1[c:2]2[c:3]([cH:4][cH:5][cH:6][cH:7]2)[CH2:8][CH2:9][N:10]([CH:11]2[CH2:12][CH2:13][N:14]([CH2:17][c:18]3[cH:19][cH:20][cH:21][cH:22][cH:23]3)[CH2:15][CH2:16]2)[C:24]1=[O:25]

참가 물질

반응물 3

HCID 8028Tetrahydrofuran

HCID 5250894Bis-(1H-imidazol-2-YL)-methanone

HCID 21102095N-(2-aminophenethyl)-1-benzylpiperidin-4-amine

생성물 1

HCID 162024883-(1-Benzyl-piperidin-4-yl)1,3,4,5-tetrahydro-benzo[d][1,3]diazepin-2-one

출처 및 근거

ORD 기록: ord-08910e8de5e64bdf9f03e813337748fc
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D

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