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llms.txt · MCP 가이드개인정보처리방침 · 이용약관 · 지원v1.8.0
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Ethyl Acetate → 11-[[[2-[4-[3-[Bis(methylethyl)amino]propyl]-piperidin-1-yl]ethyl]amino]carbonyl]-5,11-dihydro-9-methyl-6H-pyrido[2,3-b][1,4]benzodiazepin-6-one

HRID 190426
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HRID 190426 반응식
[CH3:21][CH:22]([CH3:23])[N:24]([CH2:25][CH2:26][CH2:27][CH:28]1[CH2:29][CH2:30][N:31]([CH2:34][CH2:35][NH2:36])[CH2:32][CH2:33]1)[CH:37]([CH3:38])[CH3:39].[CH3:40][CH2:41][O:42][C:43](=[O:44])[CH3:45].[Cl:1][C:2](=[O:3])[N:4]1[c:5]2[c:6]([cH:17][cH:18][cH:19][n:20]2)[NH:7][C:8](=[O:16])[c:9]2[c:10]1[cH:11][c:12]([CH3:15])[cH:13][cH:14]2>>[C:2](=[O:3])([N:4]1[c:5]2[c:6]([cH:17][cH:18][cH:19][n:20]2)[NH:7][C:8](=[O:16])[c:9]2[c:10]1[cH:11][c:12]([CH3:15])[cH:13][cH:14]2)[NH:36][CH2:35][CH2:34][N:31]1[CH2:30][CH2:29][CH:28]([CH2:27][CH2:26][CH2:25][N:24]([CH:22]([CH3:21])[CH3:23])[CH:37]([CH3:38])[CH3:39])[CH2:33][CH2:32]1
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참가 물질

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반응물 3

HCID 8857Ethyl AcetateHCID 1510747111-(chlorocarbonyl)-5,11-dihydro-9-methyl-6H-pyrido[2,3-b][1,4]benzodiazepin-6-oneHCID 198459452-[4-[3-[Bis(methylethyl)amino]propyl]-piperidin-1-yl]ethanamine

생성물 1

HCID 1984601311-[[[2-[4-[3-[Bis(methylethyl)amino]propyl]-piperidin-1-yl]ethyl]amino]carbonyl]-5,11-dihydro-9-methyl-6H-pyrido[2,3-b][1,4]benzodiazepin-6-one

출처 및 근거

ORD 기록
ord-2c5e0dad8869479fbeb95e0f99ccfb3e
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI
10.1039/C8SC04228D

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