Ethanol → tert-butyl 2-[[4-(dihexylamino)-1,1-dioxo-1,2,5-thiadiazol-3-yl]amino]-3-(4-hydroxyphenyl)propanoate

HRID 1214647

반응식

HRID 1214647 반응식
[C:24]([CH3:25])([CH3:26])([CH3:27])[O:28][C:29]([CH:30]([NH2:31])[CH2:32][c:33]1[cH:34][cH:35][c:36]([OH:39])[cH:37][cH:38]1)=[O:40].[CH2:1]([CH2:2][CH2:3][CH2:4][CH2:5][CH3:6])[N:7]([CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH3:13])[C:14]1=[N:18][S:17](=[O:19])(=[O:20])[N:16]=[C:15]1[O:21][CH2:22][CH3:23].[CH3:41][CH2:42][OH:43]>>[CH2:1]([CH2:2][CH2:3][CH2:4][CH2:5][CH3:6])[N:7]([CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH3:13])[C:14]1=[N:18][S:17](=[O:19])(=[O:20])[N:16]=[C:15]1[NH:31][CH:30]([C:29]([O:28][C:24]([CH3:25])([CH3:26])[CH3:27])=[O:40])[CH2:32][c:33]1[cH:34][cH:35][c:36]([OH:39])[cH:37][cH:38]1

참가 물질

4

반응물 3

HCID 702EthanolHCID 86078Tert-butyl tyrosinateHCID 221387874-(N,N-di-n-hexylamino)-3-ethoxy-1,1-dioxo-1,2,5-thiadiazole

생성물 1

HCID 178444781tert-butyl 2-[[4-(dihexylamino)-1,1-dioxo-1,2,5-thiadiazol-3-yl]amino]-3-(4-hydroxyphenyl)propanoate

출처 및 근거

ORD 기록
ord-af0b4695071b45c48bd4f67306eedc37
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

연결된 노트

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