Water → HCID 67537407, compound
Reaction equation
[CH2:1]([CH3:2])[O:3][P:4]([O:5][CH2:6][CH3:7])[CH:8]([F:9])[c:10]1[cH:11][c:12]([Br:16])[cH:13][cH:14][cH:15]1.[CH3:17][CH:18]1[CH2:19][CH2:20][CH2:21][CH:22]([CH3:23])[NH:24]1.[F:25][CH:26]([O:27][c:28]1[cH:29][cH:30][c:31]([C:34]#[CH:35])[cH:32][cH:33]1)[F:36].[OH2:114].[Pd:37].[c:38]1([P:39]([c:40]2[cH:41][cH:42][cH:43][cH:44][cH:45]2)[c:46]2[cH:47][cH:48][cH:49][cH:50][cH:51]2)[cH:52][cH:53][cH:54][cH:55][cH:56]1.[c:57]1([P:58]([c:59]2[cH:60][cH:61][cH:62][cH:63][cH:64]2)[c:65]2[cH:66][cH:67][cH:68][cH:69][cH:70]2)[cH:71][cH:72][cH:73][cH:74][cH:75]1.[c:76]1([P:77]([c:78]2[cH:79][cH:80][cH:81][cH:82][cH:83]2)[c:84]2[cH:85][cH:86][cH:87][cH:88][cH:89]2)[cH:90][cH:91][cH:92][cH:93][cH:94]1.[c:95]1([P:96]([c:97]2[cH:98][cH:99][cH:100][cH:101][cH:102]2)[c:103]2[cH:104][cH:105][cH:106][cH:107][cH:108]2)[cH:109][cH:110][cH:111][cH:112][cH:113]1>>[CH2:1]([CH3:2])[O:3][P:4]([O:5][CH2:6][CH3:7])[CH:8]([F:9])[c:10]1[cH:11][c:12]([C:35]#[C:34][c:31]2[cH:30][cH:29][c:28]([O:27][CH:26]([F:25])[F:36])[cH:33][cH:32]2)[cH:13][cH:14][cH:15]1Participants
7
Sources & evidence
- ORD record
- ord-f96c90656db94d5ebea9a1627af65263
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
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