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Methanol → 3-Furancarboxylic acid, 5-[4-[2-(11-ethyl-6,11-dihydro-5-methyl-6-oxo-5H-dipyrido[2,3-e:3',2'-b][1,4]diazepin-8-yl)ethoxy]phenyl]-2-methyl-

HRID 2310054
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HRID 2310054 반응식
[CH2:1]([CH3:2])[N:3]1[c:4]2[c:5]([cH:36][cH:37][cH:38][n:39]2)[N:6]([CH3:35])[C:7](=[O:34])[c:8]2[c:9]1[n:10][cH:11][c:12]([CH2:14][CH2:15][O:16][c:17]1[cH:18][cH:19][c:20](-[c:23]3[cH:24][c:25]([C:29](=[O:30])[O:31][CH2:32][CH3:33])[c:26]([CH3:28])[o:27]3)[cH:21][cH:22]1)[cH:13]2.[CH2:44]1[O:45][CH2:46][CH2:47][CH2:48]1.[CH3:42][OH:43].[Na+:41].[OH-:40]>>[CH2:1]([CH3:2])[N:3]1[c:4]2[c:5]([cH:36][cH:37][cH:38][n:39]2)[N:6]([CH3:35])[C:7](=[O:34])[c:8]2[c:9]1[n:10][cH:11][c:12]([CH2:14][CH2:15][O:16][c:17]1[cH:18][cH:19][c:20](-[c:23]3[cH:24][c:25]([C:29](=[O:30])[OH:31])[c:26]([CH3:28])[o:27]3)[cH:21][cH:22]1)[cH:13]2
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반응물 5

HCID 887MethanolHCID 923Sodium IonHCID 961HydroxideHCID 8028TetrahydrofuranHCID 22648869ethyl 5-{4-[2-(11-ethyl-6,11-dihydro-5-methyl-6-oxo-5H-dipyrido[3,2-b:2',3'-e][1,4]diazepin-8-yl)ethoxy]phenyl}-2-methyl-3-furanecarboxylate

생성물 1

HCID 3012348
3-Furancarboxylic acid, 5-[4-[2-(11-ethyl-6,11-dihydro-5-methyl-6-oxo-5H-dipyrido[2,3-e:3',2'-b][1,4]diazepin-8-yl)ethoxy]phenyl]-2-methyl-

출처 및 근거

ORD 기록
ord-063b1fa838bd4ed2a712b4c617f6e0cf
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI
10.1039/C8SC04228D

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