HCID 18755438, 화합물 → HCID 178491808, 화합물

반응식

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

참가 물질

반응물 2

HCID 18755438HCID 18755438, 화합물

HCID 178492492HCID 178492492, 화합물

생성물 1

HCID 178491808HCID 178491808, 화합물

출처 및 근거

ORD 기록: ord-189b68f8b1c0439da6d5e35c5aa7ac95
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D

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