HCID 11484900, 화합물 → HCID 11200520, 화합물

반응식

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

참가 물질

반응물 2

HCID 11484900HCID 11484900, 화합물

HCID 178431444HCID 178431444, 화합물

생성물 1

HCID 11200520HCID 11200520, 화합물

출처 및 근거

ORD 기록: ord-1183c44f9c6b4e1bac46fab3609b8676
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D

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