Sodium ion → HCID 22136483, compound
Reaction equation
[CH3:44][C:45]#[N:46].[Cl:1][c:2]1[n:3][c:4]2[cH:5][cH:6][c:7]([C:19]([OH:20])([c:21]3[cH:22][n:23][cH:24][n:25]3[CH3:26])[c:27]3[cH:28][cH:29][c:30]([Cl:33])[cH:31][cH:32]3)[cH:8][c:9]2[c:10](-[c:12]2[cH:13][c:14]([Cl:18])[cH:15][cH:16][cH:17]2)[n:11]1.[Na+:47].[Na+:48].[O-:49][C:50](=[O:51])[O-:52].[O:53]1[CH2:54][CH2:55][O:56][CH2:57][CH2:58]1.[OH2:43].[Pd:59]([Cl:60])[Cl:61].[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.[n:34]1[cH:35][c:36]([B:40]([OH:41])[OH:42])[cH:37][cH:38][cH:39]1>>[c:2]1(-[c:36]2[cH:35][n:34][cH:39][cH:38][cH:37]2)[n:3][c:4]2[cH:5][cH:6][c:7]([C:19]([OH:20])([c:21]3[cH:22][n:23][cH:24][n:25]3[CH3:26])[c:27]3[cH:28][cH:29][c:30]([Cl:33])[cH:31][cH:32]3)[cH:8][c:9]2[c:10](-[c:12]2[cH:13][c:14]([Cl:18])[cH:15][cH:16][cH:17]2)[n:11]1Participants
10
Sources & evidence
- ORD record
- ord-5fa4b28097b84d058acd8dbfee94be4e
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
Reaction notes
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