1,3-Dioxaindane-4-carboxylic acid → CID 74380518

반응식

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

참가 물질

반응물 2

HCID 3048321,3-Dioxaindane-4-carboxylic acid

HCID 178509363HCID 178509363, 화합물

생성물 1

HCID 178508546CID 74380518

출처 및 근거

ORD 기록: ord-5080e4fdebc54a49a312a06545bc3726
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D

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