Water → HCID 178476982, compound
Reaction equation
[CH3:1][C:2]([CH3:3])([O:4][C:5]([NH:6][CH:7]([C:8]([NH:9][CH:10]([C:11](=[O:12])[NH:26][CH:27]([CH:28]([OH:29])[P:30](=[O:31])([O:32][CH2:33][CH3:34])[O:35][CH2:36][CH3:37])[CH2:38][CH:39]1[CH2:40][CH2:41][CH2:42][CH2:43][CH2:44]1)[CH2:13][CH:14]([CH3:15])[CH3:16])=[O:17])[CH2:18][c:19]1[cH:20][cH:21][cH:22][cH:23][cH:24]1)=[O:25])[CH3:45].[CH3:46][C:47]([CH3:48])([O:49][C:50](=[O:51])[NH:52][CH:53]([CH2:54][c:55]1[cH:56][n:57][cH:58][n:59]1[CH2:60][O:61][CH2:62][c:63]1[cH:64][cH:65][cH:66][cH:67][cH:68]1)[C:69](=[O:70])[OH:71])[CH3:72].[CH:84]([N:85]([CH2:86][CH3:87])[CH:88]([CH3:89])[CH3:90])([CH3:91])[CH3:92].[CH:93]1([N:94]=[C:95]=[N:96][CH:97]2[CH2:98][CH2:99][CH2:100][CH2:101][CH2:102]2)[CH2:103][CH2:104][CH2:105][CH2:106][CH2:107]1.[O:108]1[CH2:109][CH2:110][CH2:111][CH2:112]1.[OH2:73].[OH:74][n:75]1[c:76]2[cH:77][cH:78][cH:79][cH:80][c:81]2[n:82][n:83]1>>[NH:26]([CH:27]([CH:28]([OH:29])[P:30](=[O:31])([O:32][CH2:33][CH3:34])[O:35][CH2:36][CH3:37])[CH2:38][CH:39]1[CH2:40][CH2:41][CH2:42][CH2:43][CH2:44]1)[C:69]([CH:53]([NH:52][C:50]([O:49][C:47]([CH3:46])([CH3:48])[CH3:72])=[O:51])[CH2:54][c:55]1[cH:56][n:57][cH:58][n:59]1[CH2:60][O:61][CH2:62][c:63]1[cH:64][cH:65][cH:66][cH:67][cH:68]1)=[O:70]Participants
8
Sources & evidence
- ORD record
- ord-388182cf6ed34147bfe635b9d14e9e84
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
Reaction notes
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