HCID 57545981, 화합물 → HCID 68243821, 화합물

반응식

[Br:1][c:2]1[cH:3][cH:4][c:5]2[c:6]([n:7]([CH2:32][CH:33]3[CH2:34][CH2:35]3)[c:8]([CH2:10][O:11][CH2:12][C:13]3([c:26]4[cH:27][cH:28][cH:29][cH:30][cH:31]4)[CH2:14][CH2:15][N:16]([C:19](=[O:20])[O:21][C:22]([CH3:23])([CH3:24])[CH3:25])[CH2:17][CH2:18]3)[n:9]2)[cH:36]1.[C:37](#[N:38])[c:39]1[cH:40][cH:41][c:42](-[c:45]2[cH:46][cH:47][c:48]3[n:49]([CH2:50][CH:51]4[CH2:52][CH2:53]4)[c:54]([CH2:55][O:56][CH2:57][C:58]4([c:59]5[cH:60][cH:61][cH:62][cH:63][cH:64]5)[CH2:65][CH2:66][N:67]([C:68]([O:69][C:70]([CH3:71])([CH3:72])[CH3:73])=[O:74])[CH2:75][CH2:76]4)[n:77][c:78]3[cH:79]2)[cH:43][cH:44]1>>[c:2]1(-[c:42]2[cH:41][cH:40][c:39]([C:37]#[N:38])[cH:44][cH:43]2)[cH:3][cH:4][c:5]2[c:6]([n:7]([CH2:32][CH:33]3[CH2:34][CH2:35]3)[c:8]([CH2:10][O:11][CH2:12][C:13]3([c:26]4[cH:27][cH:28][cH:29][cH:30][cH:31]4)[CH2:14][CH2:15][N:16]([C:19](=[O:20])[O:21][C:22]([CH3:23])([CH3:24])[CH3:25])[CH2:17][CH2:18]3)[n:9]2)[cH:36]1

참가 물질

반응물 2

HCID 57545981HCID 57545981, 화합물

HCID 67403049HCID 67403049, 화합물

생성물 1

HCID 68243821HCID 68243821, 화합물

출처 및 근거

ORD 기록: ord-3f62572684cc43a986b96bbfe3678988
출처 데이터셋: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D

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