Dimethyl Sulfoxide → 1-{3-[3-(4-Chloro-benzyl)-azetidin-1-yl]-propyl}-3-(5-ethyl-[1,3,4]thiadiazol-2-yl)-urea

HRID 141157

반응식

HRID 141157 반응식
[CH3:34][S:35]([CH3:36])=[O:37].[Cl:1][c:2]1[cH:3][cH:4][c:5]([CH2:6][CH:7]2[CH2:8][N:9]([CH2:11][CH2:12][CH2:13][NH2:14])[CH2:10]2)[cH:15][cH:16]1.[c:17]1([O:23][C:24](=[O:18])[NH:25][c:26]2[s:27][c:28]([CH2:31][CH3:32])[n:29][n:30]2)[cH:19][cH:20][cH:21][cH:22][cH:33]1>>[Cl:1][c:2]1[cH:3][cH:4][c:5]([CH2:6][CH:7]2[CH2:8][N:9]([CH2:11][CH2:12][CH2:13][NH:14][C:24](=[O:23])[NH:25][c:26]3[s:27][c:28]([CH2:31][CH3:32])[n:29][n:30]3)[CH2:10]2)[cH:15][cH:16]1

참가 물질

4

반응물 3

HCID 679Dimethyl SulfoxideHCID 66876196Phenyl 5-ethyl-1,3,4-thiadiazol-2-ylcarbamateHCID 694091233-(3-(4-Chlorobenzyl)azetidin-1-yl)propan-1-amine

생성물 1

HCID 101506761-{3-[3-(4-Chloro-benzyl)-azetidin-1-yl]-propyl}-3-(5-ethyl-[1,3,4]thiadiazol-2-yl)-urea

출처 및 근거

ORD 기록
ord-f5277b42b89341e88fa3c8e16322e6cc
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

연결된 노트

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