Tetrahydrofuran → 4-{3-[5-(1H-Indol-2-yl)-2-methoxy-phenyl]-thioureido}-benzoic acid

HRID 90418

반응식

HRID 90418 반응식
[C:19](=[O:20])([OH:21])[c:22]1[cH:23][cH:24][c:25]([N:28]=[C:29]=[S:30])[cH:26][cH:27]1.[O:31]1[CH2:32][CH2:33][CH2:34][CH2:35]1.[nH:1]1[c:2](-[c:10]2[cH:11][cH:12][c:13]([O:17][CH3:18])[c:14]([NH2:16])[cH:15]2)[cH:3][c:4]2[cH:5][cH:6][cH:7][cH:8][c:9]12>>[nH:1]1[c:2](-[c:10]2[cH:11][cH:12][c:13]([O:17][CH3:18])[c:14]([NH:16][C:29]([NH:28][c:25]3[cH:24][cH:23][c:22]([C:19](=[O:20])[OH:21])[cH:27][cH:26]3)=[S:30])[cH:15]2)[cH:3][c:4]2[cH:5][cH:6][cH:7][cH:8][c:9]12

참가 물질

4

반응물 3

HCID 8028TetrahydrofuranHCID 2429464-Isothiocyanatobenzoic acidHCID 99002045-(1H-indol-2-yl)-2-methoxy-phenylamine

생성물 1

HCID 101367294-{3-[5-(1H-Indol-2-yl)-2-methoxy-phenyl]-thioureido}-benzoic acid

출처 및 근거

ORD 기록
ord-140367f35bd34858a91f0a863bb3cbde
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

연결된 노트

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