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

HRID 956631
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HRID 956631 반응식
[CH3:55][OH:56].[Li+:49].[O:50]1[CH2:51][CH2:52][CH2:53][CH2:54]1.[OH-:48].[OH2:47].[c:1]1([CH3:46])[c:2]([C:7](=[O:8])[CH2:9][N:10]2[C:11](=[O:45])[CH:12]([NH:30][C:31](=[O:32])[NH:33][c:34]3[cH:35][c:36]([C:40](=[O:41])[O:42][CH2:43][CH3:44])[cH:37][cH:38][cH:39]3)[CH2:13][N:14]([C:22](=[O:23])[CH:24]3[CH2:25][CH2:26][CH2:27][CH2:28][CH2:29]3)[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([CH3:46])[c:2]([C:7](=[O:8])[CH2:9][N:10]2[C:11](=[O:45])[CH:12]([NH:30][C:31](=[O:32])[NH:33][c:34]3[cH:35][c:36]([C:40](=[O:41])[OH:42])[cH:37][cH:38][cH:39]3)[CH2:13][N:14]([C:22](=[O:23])[CH:24]3[CH2:25][CH2:26][CH2:27][CH2:28][CH2:29]3)[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 212018771-[1-(2-toluoylmethyl)-2-oxo-5-cyclohexylcarbonyl-8-methyl-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-3-yl]-3-(3-ethoxycarbonylphenyl)urea

생성물 1

HCID 21202003
3-[3-[1-(2-toluoylmethyl)-2-oxo-5-cyclohexylcarbonyl-8-methyl-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-3-yl]ureido]benzoic acid

출처 및 근거

ORD 기록
ord-4a241244d4a342d5845c66bb3253556e
출처 데이터셋
Validation data from https://doi.org/10.1039/C8SC04228D
DOI
10.1039/C8SC04228D

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