1-Methyl-1H-pyrazole-4-carboxylic acid → HCID 11246222, 화합물

HRID 205890

반응식

HRID 205890 반응식
[CH3:20][n:21]1[n:22][cH:23][c:24]([C:26](=[O:27])[OH:28])[cH:25]1.[O:1]1[CH2:2][CH2:3][O:4][CH2:5][CH:6]([c:8]2[cH:9][cH:10][c:11]([O:18][CH3:19])[c:12]3[n:13][c:14]([NH2:17])[s:15][c:16]23)[CH2:7]1.[O:29]1[CH2:30][CH:31]([c:32]2[c:33]3[s:34][c:35]([NH:36][C:37]([c:38]4[s:39][c:40]([CH3:41])[cH:42][cH:43]4)=[O:44])[n:45][c:46]3[c:47]([O:48][CH3:49])[cH:50][cH:51]2)[CH2:52][O:53][CH2:54][CH2:55]1>>[O:1]1[CH2:2][CH2:3][O:4][CH2:5][CH:6]([c:8]2[cH:9][cH:10][c:11]([O:18][CH3:19])[c:12]3[n:13][c:14]([NH:17][C:26]([c:24]4[cH:23][n:22][n:21]([CH3:20])[cH:25]4)=[O:27])[s:15][c:16]23)[CH2:7]1

참가 물질

4

반응물 3

HCID 6431601-Methyl-1H-pyrazole-4-carboxylic acidHCID 113731005-Methyl-thiophene-2-carboxylic acid (7-[1,4]dioxepan-6-yl-4-methoxy-benzothiazol-2-yl)-amideHCID 597118057-[1,4]Dioxepan-6-yl-4-methoxy-benzothiazol-2-ylamine

생성물 1

HCID 11246222HCID 11246222, 화합물

출처 및 근거

ORD 기록
ord-55f7606834de45da97fa233963ceff2b
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

연결된 노트

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