10,11-Dihydro-5H-benzo[e]pyrrolo[1,2-a][1,4]diazepine → 10,11-Dihydro-5H-pyrrolo[2,1-c][1,4]benzodiazepin-10-yl-(4-cyclohex-1-enyl-3-methyl-phenyl)-methanone

반응식

[C:1]1([c:7]2[c:8]([CH3:16])[cH:9][c:10]([C:11](=[O:12])[OH:13])[cH:14][cH:15]2)=[CH:2][CH2:3][CH2:4][CH2:5][CH2:6]1.[cH:17]1[cH:18][cH:19][n:20]2[c:21]1[CH2:22][NH:23][c:24]1[c:25]([cH:27][cH:28][cH:29][cH:30]1)[CH2:26]2>>[C:1]1([c:7]2[c:8]([CH3:16])[cH:9][c:10]([C:11](=[O:13])[N:23]3[CH2:22][c:21]4[cH:17][cH:18][cH:19][n:20]4[CH2:26][c:25]4[c:24]3[cH:30][cH:29][cH:28][cH:27]4)[cH:14][cH:15]2)=[CH:2][CH2:3][CH2:4][CH2:5][CH2:6]1

참가 물질

반응물 2

HCID 1554704810,11-Dihydro-5H-benzo[e]pyrrolo[1,2-a][1,4]diazepine

HCID 222197134-Cyclohex-1-en-1-yl-3-methyl-benzoic acid

생성물 1

HCID 1022151510,11-Dihydro-5H-pyrrolo[2,1-c][1,4]benzodiazepin-10-yl-(4-cyclohex-1-enyl-3-methyl-phenyl)-methanone

출처 및 근거

ORD 기록: ord-cdb2747ba17045098b641c66db9e4c4d
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D

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