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Methanol → 3-[3-[1-(2-toluoylmethyl)-2-oxo-5-(3, 3-dimethylbutanoyl)-8-methyl-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-3-yl]ureido]benzoic acid

HRID 2133097
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HRID 2133097 반응식
[CH3:54][OH:55].[Li+:48].[O:49]1[CH2:50][CH2:51][CH2:52][CH2:53]1.[OH-:47].[OH2:46].[c:1]1([CH3:45])[c:2]([C:7](=[O:8])[CH2:9][N:10]2[C:11](=[O:44])[CH:12]([NH:29][C:30](=[O:31])[NH:32][c:33]3[cH:34][c:35]([C:39](=[O:40])[O:41][CH2:42][CH3:43])[cH:36][cH:37][cH:38]3)[CH2:13][N:14]([C:22]([CH2:23][C:24]([CH3:25])([CH3:26])[CH3:27])=[O:28])[c:15]3[c:16]2[cH:17][c:18]([CH3:21])[cH:19][cH:20]3)[cH:3][cH:4][cH:5][cH:6]1>>[c:1]1([CH3:45])[c:2]([C:7](=[O:8])[CH2:9][N:10]2[C:11](=[O:44])[CH:12]([NH:29][C:30](=[O:31])[NH:32][c:33]3[cH:34][c:35]([C:39](=[O:40])[OH:41])[cH:36][cH:37][cH:38]3)[CH2:13][N:14]([C:22]([CH2:23][C:24]([CH3:25])([CH3:26])[CH3:27])=[O:28])[c:15]3[c:16]2[cH:17][c:18]([CH3:21])[cH:19][cH:20]3)[cH:3][cH:4][cH:5][cH:6]1
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반응물 6

HCID 887MethanolHCID 961HydroxideHCID 962WaterHCID 8028TetrahydrofuranHCID 28486Lithium ionHCID 212015771-[1-(2-toluoylmethyl)-2-oxo-5-(3,3-dimethylbutanoyl)-8-methyl-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-3-yl]-3-(3-ethoxycarbonylphenyl)urea

생성물 1

HCID 21201691
3-[3-[1-(2-toluoylmethyl)-2-oxo-5-(3, 3-dimethylbutanoyl)-8-methyl-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-3-yl]ureido]benzoic acid

출처 및 근거

ORD 기록
ord-233ee8cdabbb4831b82a2f611c771669
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI
10.1039/C8SC04228D

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