Dimethyl Sulfoxide → 4-Amino-3-[3-(5-methyl-[1,3,4]oxadiazol-2-yl)-phenoxymethyl]-thieno[3,2-c]pyridine-7-carboxylic acid (2-hydroxy-ethyl)-amide

반응식

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

참가 물질

반응물 3

HCID 679Dimethyl Sulfoxide

HCID 700Ethanolamine

HCID 24810091HCID 24810091, 화합물

생성물 1

HCID 248100924-Amino-3-[3-(5-methyl-[1,3,4]oxadiazol-2-yl)-phenoxymethyl]-thieno[3,2-c]pyridine-7-carboxylic acid (2-hydroxy-ethyl)-amide

출처 및 근거

ORD 기록: ord-c011680df6554c97b222c119e2c50b55
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D

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