Water → HCID 57600250, compound
Reaction equation
[CH3:23][O:24][c:25]1[cH:26][cH:27][c:28]([C:31]([OH:32])=[O:33])[cH:29][cH:30]1.[CH3:61][CH2:62][N:63]([CH2:64][CH3:65])[CH2:66][CH3:67].[CH3:74][C:75]#[N:76].[NH2:1][CH2:2][CH2:3][c:4]1[n:5][n:6][c:7]2[n:8]1[c:9](=[O:22])[c:10]1[nH:11][c:12]([Br:21])[n:13][c:14]1[n:15]2[CH2:16][CH2:17][CH2:18][CH2:19][CH3:20].[O:68]=[CH:69][N:70]([CH3:71])[CH3:72].[OH2:73].[P-:34]([F:35])([F:36])([F:37])([F:38])([F:39])[F:40].[n:41]1([O:42][P+:43]([N:44]([CH3:45])[CH3:46])([N:47]([CH3:48])[CH3:49])[N:50]([CH3:51])[CH3:52])[c:53]2[cH:54][cH:55][cH:56][cH:57][c:58]2[n:59][n:60]1>>[NH:1]([CH2:2][CH2:3][c:4]1[n:5][n:6][c:7]2[n:8]1[c:9](=[O:22])[c:10]1[nH:11][c:12]([Br:21])[n:13][c:14]1[n:15]2[CH2:16][CH2:17][CH2:18][CH2:19][CH3:20])[C:31]([c:28]1[cH:27][cH:26][c:25]([O:24][CH3:23])[cH:30][cH:29]1)=[O:32]Participants
9
Sources & evidence
- ORD record
- ord-5bcc1b17aa4f400985b8a6747daabf77
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
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