Water → HCID 178430266, compound
Reaction equation
[Br:1][c:2]1[cH:3][cH:4][c:5]([CH:8]([N:9]2[CH2:10][CH:11]([CH3:23])[N:12]([CH2:15][C:16](=[O:17])[O:18][C:19]([CH3:20])([CH3:21])[CH3:22])[CH2:13][CH2:14]2)[c:24]2[cH:25][cH:26][cH:27][cH:28][cH:29]2)[cH:6][cH:7]1.[CH2:42]([N+:43]([CH2:44][CH2:45][CH2:46][CH3:47])([CH2:48][CH2:49][CH2:50][CH3:51])[CH2:52][CH2:53][CH2:54][CH3:55])[CH2:56][CH2:57][CH3:58].[F-:41].[OH2:38].[OH2:39].[OH2:40].[Pd:59]([Cl:60])[Cl:61].[c:30]1([C:36]#[CH:37])[cH:31][cH:32][cH:33][cH:34][cH:35]1.[c:62]1([P:63]([c:64]2[cH:65][cH:66][cH:67][cH:68][cH:69]2)[c:70]2[cH:71][cH:72][cH:73][cH:74][cH:75]2)[cH:76][cH:77][cH:78][cH:79][cH:80]1.[c:81]1([P:82]([c:83]2[cH:84][cH:85][cH:86][cH:87][cH:88]2)[c:89]2[cH:90][cH:91][cH:92][cH:93][cH:94]2)[cH:95][cH:96][cH:97][cH:98][cH:99]1>>[c:2]1([C:37]#[C:36][c:30]2[cH:31][cH:32][cH:33][cH:34][cH:35]2)[cH:3][cH:4][c:5]([CH:8]([N:9]2[CH2:10][CH:11]([CH3:23])[N:12]([CH2:15][C:16](=[O:17])[O:18][C:19]([CH3:20])([CH3:21])[CH3:22])[CH2:13][CH2:14]2)[c:24]2[cH:25][cH:26][cH:27][cH:28][cH:29]2)[cH:6][cH:7]1Participants
8
Sources & evidence
- ORD record
- ord-1504a1746f3841f2a3cb133f1e5263e2
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
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