Trifluoroacetic acid → HCID 54755799, 화합물

반응식

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

참가 물질

반응물 3

HCID 6422Trifluoroacetic acid

HCID 58548860HCID 58548860, 화합물

HCID 590174344-Hydroxy-4-(5-methyl-thiazol-2-yl)-cyclohexanone

생성물 1

HCID 54755799HCID 54755799, 화합물

출처 및 근거

ORD 기록: ord-721b537f8ad445d6a847e668d6be398b
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D

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