Water → (1-{2-[(2-Isopropyl-5-methyl-cyclohexanecarbonyl)-amino]-1-phenyl-ethylcarbamoyl}-ethyl)-carbamic acid tert-butyl ester

HRID 295422

반응식

HRID 295422 반응식
[C:6](=[O:7])([O:8][C:9]([CH3:10])([CH3:11])[CH3:12])[NH:13][CH:14]([CH3:15])[C:16](=[O:17])[OH:18].[CH2:1]1[O:2][CH2:3][CH2:4][CH2:5]1.[CH3:52][CH2:53][O:54][C:55](=[O:56])[CH3:57].[NH2:29][CH:30]([CH2:31][NH:32][C:33](=[O:34])[CH:35]1[CH:36]([CH:42]([CH3:43])[CH3:44])[CH2:37][CH2:38][CH:39]([CH3:41])[CH2:40]1)[c:45]1[cH:46][cH:47][cH:48][cH:49][cH:50]1.[OH2:51].[OH:19][n:20]1[c:21]2[c:22]([cH:23][cH:24][cH:25][cH:26]2)[n:27][n:28]1>>[C:6](=[O:7])([O:8][C:9]([CH3:10])([CH3:11])[CH3:12])[NH:13][CH:14]([CH3:15])[C:16](=[O:18])[NH:29][CH:30]([CH2:31][NH:32][C:33](=[O:34])[CH:35]1[CH:36]([CH:42]([CH3:43])[CH3:44])[CH2:37][CH2:38][CH:39]([CH3:41])[CH2:40]1)[c:45]1[cH:46][cH:47][cH:48][cH:49][cH:50]1

참가 물질

7

반응물 6

HCID 962WaterHCID 8028TetrahydrofuranHCID 8857Ethyl AcetateHCID 757711-HydroxybenzotriazoleHCID 2684712-N-Boc-aminopropionic acidHCID 668315382-Isopropyl-5-methyl-cyclohexanecarboxylic acid (2-amino-2-phenyl-ethyl)-amide

생성물 1

HCID 66831508(1-{2-[(2-Isopropyl-5-methyl-cyclohexanecarbonyl)-amino]-1-phenyl-ethylcarbamoyl}-ethyl)-carbamic acid tert-butyl ester

출처 및 근거

ORD 기록
ord-747007f96cc841f29f256ef93a00d6e0
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

연결된 노트

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