HCID 22336939, 화합물 → HCID 178490280, 화합물

반응식

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

참가 물질

반응물 2

HCID 22336939HCID 22336939, 화합물

HCID 178446570HCID 178446570, 화합물

생성물 1

HCID 178490280HCID 178490280, 화합물

출처 및 근거

ORD 기록: ord-dfb9af64f55f4d9dbb13fb9a4e40d2b1
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D

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