Ethyl Acetate → (3-{[1-(tert-butoxycarbonyl)-1H-indazol-3-yl]methyl}-2,4-dioxo-5-phenyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-1-yl)acetic acid

반응식

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

참가 물질

반응물 2

HCID 8857Ethyl Acetate

HCID 69426247tert-butyl 3-({1-[2-(benzyloxy)-2-oxoethyl]-2,4-dioxo-5-phenyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-3-yl}methyl)-1H-indazole-1-carboxylate

생성물 1

HCID 69423828(3-{[1-(tert-butoxycarbonyl)-1H-indazol-3-yl]methyl}-2,4-dioxo-5-phenyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-1-yl)acetic acid

출처 및 근거

ORD 기록: ord-9a1fc173e68743ad86a94e158167cc1e
출처 데이터셋: Validation data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D

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