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(2-Amino-4-phenylethynyl-phenyl)-carbamic acid tert-butyl ester → (2-{3-[3-(2,4-Dimethyl-imidazol-1-yl)-phenyl]-3-oxo-propionylamino}-4-phenylethynyl-phenyl)-carbamic acid tert.-butyl ester

HRID 1140594
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반응식

HRID 1140594 반응식
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([NH:7][c:8]1[c:9]([NH2:22])[cH:10][c:11]([C:14]#[C:15][c:16]2[cH:17][cH:18][cH:19][cH:20][cH:21]2)[cH:12][cH:13]1)=[O:23].[C:24]([CH3:26])([CH3:27])([O:28][C:29](=[O:25])[CH2:30][C:31](=[O:32])[c:33]1[cH:34][c:35](-[n:39]2[c:40]([CH3:45])[n:41][c:42]([CH3:44])[cH:43]2)[cH:36][cH:37][cH:38]1)[CH3:46]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([NH:7][c:8]1[c:9]([NH:22][C:29](=[O:28])[CH2:30][C:31](=[O:32])[c:33]2[cH:34][c:35](-[n:39]3[c:40]([CH3:45])[n:41][c:42]([CH3:44])[cH:43]3)[cH:36][cH:37][cH:38]2)[cH:10][c:11]([C:14]#[C:15][c:16]2[cH:17][cH:18][cH:19][cH:20][cH:21]2)[cH:12][cH:13]1)=[O:23]
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반응물 2

HCID 11404065(2-Amino-4-phenylethynyl-phenyl)-carbamic acid tert-butyl esterHCID 695928063-[3-(2,4-Dimethyl-imidazol-1-yl)-phenyl]-3-oxo-propionic acid tert.-butyl ester

생성물 1

HCID 86588045(2-{3-[3-(2,4-Dimethyl-imidazol-1-yl)-phenyl]-3-oxo-propionylamino}-4-phenylethynyl-phenyl)-carbamic acid tert.-butyl ester

출처 및 근거

ORD 기록
ord-983cf1568ddf4bad80d5197edd0c34ab
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI
10.1039/C8SC04228D

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