Dimethyl Sulfoxide → 4-amino-3-{3-[2-(4-methoxy-benzyl)-2H-tetrazol-5-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[n:25][n:26][n:27]([CH2:29][c:30]4[cH:31][cH:32][c:33]([O:36][CH3:37])[cH:34][cH:35]4)[n:28]3)[cH:21][cH:22][cH:23]1)[cH:14][s:15]2)[CH3:3].[CH3:42][S:43]([CH3:44])=[O:45].[NH2:38][CH2:39][CH2:40][OH:41]>>[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[n:25][n:26][n:27]([CH2:29][c:30]4[cH:31][cH:32][c:33]([O:36][CH3:37])[cH:34][cH:35]4)[n:28]3)[cH:21][cH:22][cH:23]1)[cH:14][s:15]2)[NH:38][CH2:39][CH2:40][OH:41]

참가 물질

반응물 3

HCID 679Dimethyl Sulfoxide

HCID 700Ethanolamine

HCID 24810141HCID 24810141, 화합물

생성물 1

HCID 248101854-amino-3-{3-[2-(4-methoxy-benzyl)-2H-tetrazol-5-yl]-phenoxymethyl}-thieno[3,2-c]pyridine-7-carboxylic acid (2-hydroxy-ethyl)-amide

출처 및 근거

ORD 기록: ord-e2c1e9bd2f8840eba4e26680aa89fff2
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D

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