Ketoprofen → HCID 20516486, 화합물

HRID 179402

반응식

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

참가 물질

반응물 3

HCID 3825Ketoprofen

HCID 3386966Imidazolate

HCID 20516246HCID 20516246, 화합물

생성물 1

HCID 20516486HCID 20516486, 화합물

출처 및 근거

ORD 기록: ord-f8394d78b52843679a86684b3b4e560e
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D

연결된 노트

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