HCID 68561651, 화합물 → HCID 178452450, 화합물

반응식

[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH:10]([OH:48])[O:11][CH2:12][CH:13]1[CH:14]([CH:15]([CH2:16][c:17]1[cH:18][c:19]([F:24])[cH:20][c:21]([F:23])[cH:22]1)[N:25]([CH2:26][c:27]1[cH:28][cH:29][cH:30][cH:31][cH:32]1)[CH2:33][c:34]1[cH:35][cH:36][cH:37][cH:38][cH:39]1)[O:40][CH2:41][c:42]1[cH:43][cH:44][cH:45][cH:46][cH:47]1.[F:49][CH2:50][C:51]1([CH2:56][O:57][S:58]([C:59]([F:60])([F:61])[F:62])(=[O:63])=[O:64])[CH2:52][CH2:53][CH2:54][CH2:55]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH:10]([O:48][CH2:56][C:51]2([CH2:50][F:49])[CH2:52][CH2:53][CH2:54][CH2:55]2)[O:11][CH2:12][CH:13]1[CH:14]([CH:15]([CH2:16][c:17]1[cH:18][c:19]([F:24])[cH:20][c:21]([F:23])[cH:22]1)[N:25]([CH2:26][c:27]1[cH:28][cH:29][cH:30][cH:31][cH:32]1)[CH2:33][c:34]1[cH:35][cH:36][cH:37][cH:38][cH:39]1)[O:40][CH2:41][c:42]1[cH:43][cH:44][cH:45][cH:46][cH:47]1

참가 물질

반응물 2

HCID 68561651HCID 68561651, 화합물

HCID 86236682Trifluoromethane-sulfonic acid 1-fluoromethyl-cyclopentylmethyl ester

생성물 1

HCID 178452450HCID 178452450, 화합물

출처 및 근거

ORD 기록: ord-c93265d0dd4f454892928c59bfe67af3
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D

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