Water → HCID 178473189, compound
Reaction equation
[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[N:6]1[CH:7]([CH2:47][CH3:48])[CH2:8][CH:9]([NH:20][c:21]2[n:22][cH:23][c:24](-[c:42]3[n:43][n:44][n:45][nH:46]3)[c:25]([CH2:27][c:28]3[cH:29][c:30]([C:38]([F:39])([F:40])[F:41])[cH:31][c:32]([C:34]([F:35])([F:36])[F:37])[cH:33]3)[n:26]2)[c:10]2[cH:11][c:12]([C:16]([F:17])([F:18])[F:19])[cH:13][cH:14][c:15]21.[CH2:77]([O:78][C:79]([N:80]=[N:81][C:82]([O:83][CH2:84][CH3:85])=[O:86])=[O:87])[CH3:88].[CH3:101][CH2:102][O:103][C:104](=[O:105])[CH3:106].[CH3:94][c:95]1[cH:96][cH:97][cH:98][cH:99][cH:100]1.[O:89]1[CH2:90][CH2:91][CH2:92][CH2:93]1.[OH2:107].[OH:49][CH2:50][CH2:51][N:52]1[CH2:53][CH2:54][O:55][CH2:56][CH2:57]1.[c:58]1([P:59]([c:60]2[cH:61][cH:62][cH:63][cH:64][cH:65]2)[c:66]2[cH:67][cH:68][cH:69][cH:70][cH:71]2)[cH:72][cH:73][cH:74][cH:75][cH:76]1>>[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[N:6]1[CH:7]([CH2:47][CH3:48])[CH2:8][CH:9]([NH:20][c:21]2[n:22][cH:23][c:24](-[c:42]3[n:43][n:44][n:45]([CH2:50][CH2:51][N:52]4[CH2:53][CH2:54][O:55][CH2:56][CH2:57]4)[n:46]3)[c:25]([CH2:27][c:28]3[cH:29][c:30]([C:38]([F:39])([F:40])[F:41])[cH:31][c:32]([C:34]([F:35])([F:36])[F:37])[cH:33]3)[n:26]2)[c:10]2[cH:11][c:12]([C:16]([F:17])([F:18])[F:19])[cH:13][cH:14][c:15]21Participants
9
Sources & evidence
- ORD record
- ord-a8b30ec2a5c54346a645c95731afc913
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
Reaction notes
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