HCID 22336930, 화합물 → HCID 178490935, 화합물

반응식

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

참가 물질

반응물 2

HCID 22336930HCID 22336930, 화합물

HCID 178446593HCID 178446593, 화합물

생성물 1

HCID 178490935HCID 178490935, 화합물

출처 및 근거

ORD 기록: ord-b16e51ff78e94cc496895717623f24b1
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D

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