Sodium ion → HCID 69245236, compound

HRID 197783Notes

Reaction equation

HRID 197783 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][N:11]([c:14]2[c:15]([CH3:22])[c:16]([I:21])[cH:17][c:18]([Cl:20])[cH:19]2)[CH2:12][CH2:13]1.[CH3:33][C:34]([CH3:35])([O-:36])[CH3:37].[N:23]1([CH2:28][CH2:29][NH2:30])[CH2:24][CH2:25][CH2:26][CH2:27]1.[N:31]#[N:32].[Na+:38].[O:41]=[C:42]([CH:43]=[CH:44][c:45]1[cH:46][cH:47][cH:48][cH:49][cH:50]1)[CH:51]=[CH:52][c:53]1[cH:54][cH:55][cH:56][cH:57][cH:58]1.[O:59]=[C:60]([CH:61]=[CH:62][c:63]1[cH:64][cH:65][cH:66][cH:67][cH:68]1)[CH:69]=[CH:70][c:71]1[cH:72][cH:73][cH:74][cH:75][cH:76]1.[O:77]=[C:78]([CH:79]=[CH:80][c:81]1[cH:82][cH:83][cH:84][cH:85][cH:86]1)[CH:87]=[CH:88][c:89]1[cH:90][cH:91][cH:92][cH:93][cH:94]1.[O:95]1[CH2:96][CH2:97][O:98][CH2:99][CH2:100]1.[Pd:39].[Pd:40]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][N:11]([c:14]2[c:15]([CH3:22])[c:16]([NH:30][CH2:29][CH2:28][N:23]3[CH2:24][CH2:25][CH2:26][CH2:27]3)[cH:17][c:18]([Cl:20])[cH:19]2)[CH2:12][CH2:13]1

Participants

9

Sources & evidence

ORD record
ord-022207bfe4b84ebd9d772c93d57ba859
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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