HCID 15916755, compound → HCID 178503748, compound
Reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][CH:9]([CH2:10][c:11]1[cH:12][cH:13][c:14]([OH:17])[cH:15][cH:16]1)[C:18](=[O:19])[NH:20][CH2:21][C:22](=[O:23])[N:24]([CH3:25])[CH2:26][C:27](=[O:28])[OH:29].[C:57]([O:58][C:59]([NH:60][CH:61]([C:62]([NH:63][CH2:64][C:65]([NH:66][CH:67]([C:68]([OH:69])=[O:70])[CH3:71])=[O:72])=[O:73])[CH2:74][c:75]1[cH:76][cH:77][c:78]([OH:79])[cH:80][cH:81]1)=[O:82])([CH3:83])([CH3:84])[CH3:85].[CH2:30]([c:31]1[cH:32][cH:33][cH:34][cH:35][cH:36]1)[O:37][C:38]([CH:39]([NH:40][C:41]([CH:42]([NH2:43])[CH2:44][c:45]1[cH:46][cH:47][cH:48][cH:49][cH:50]1)=[O:51])[CH2:52][CH2:53][S:54][CH3:55])=[O:56].[CH2:86]([O:87][C:88](=[O:89])[CH:90]([CH2:91][CH:92]([CH3:93])[CH3:94])[NH:95][C:96](=[O:97])[CH:98]([CH2:99][c:100]1[cH:101][cH:102][cH:103][cH:104][cH:105]1)[NH2:106])[c:107]1[cH:108][cH:109][cH:110][cH:111][cH:112]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][CH:9]([CH2:10][c:11]1[cH:12][cH:13][c:14]([OH:17])[cH:15][cH:16]1)[C:18](=[O:19])[NH:20][CH2:21][C:22](=[O:23])[N:24]([CH3:25])[CH2:26][C:27](=[O:28])[NH:43][CH:42]([C:41]([NH:40][CH:39]([C:38]([O:37][CH2:30][c:31]1[cH:32][cH:33][cH:34][cH:35][cH:36]1)=[O:56])[CH2:52][CH2:53][S:54][CH3:55])=[O:51])[CH2:44][c:45]1[cH:46][cH:47][cH:48][cH:49][cH:50]1Participants
5
Sources & evidence
- ORD record
- ord-8bc58e87329c4086af4f541c7bbe9050
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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