Sodium ion → HCID 11152144, compound

HRID 2346370Notes

Reaction equation

HRID 2346370 reaction equation
[C:27](=[O:28])([O-:29])[O-:30].[Cl:1][c:2]1[n:3][c:4]2[n:5]([c:6]3[cH:7][cH:8][cH:9][cH:10][c:11]13)[c:12](=[O:20])[c:13]1[cH:14][cH:15][cH:16][cH:17][c:18]1[n:19]2.[NH2:21][c:22]1[s:23][cH:24][cH:25][n:26]1.[Na+:31].[Na+:32].[O:35]=[C:36]([CH:37]=[CH:38][c:39]1[cH:40][cH:41][cH:42][cH:43][cH:44]1)[CH:45]=[CH:46][c:47]1[cH:48][cH:49][cH:50][cH:51][cH:52]1.[O:53]=[C:54]([CH:55]=[CH:56][c:57]1[cH:58][cH:59][cH:60][cH:61][cH:62]1)[CH:63]=[CH:64][c:65]1[cH:66][cH:67][cH:68][cH:69][cH:70]1.[O:71]=[C:72]([CH:73]=[CH:74][c:75]1[cH:76][cH:77][cH:78][cH:79][cH:80]1)[CH:81]=[CH:82][c:83]1[cH:84][cH:85][cH:86][cH:87][cH:88]1.[O:96]1[CH2:97][CH2:98][O:99][CH2:100][CH2:101]1.[Pd:33].[Pd:34].[c:89]1([CH3:90])[cH:91][cH:92][cH:93][cH:94][cH:95]1>>[c:2]1([NH:21][c:22]2[s:23][cH:24][cH:25][n:26]2)[n:3][c:4]2[n:5]([c:6]3[cH:7][cH:8][cH:9][cH:10][c:11]13)[c:12](=[O:20])[c:13]1[cH:14][cH:15][cH:16][cH:17][c:18]1[n:19]2

Participants

9

Reactant 8

HCID 923Sodium ion2×HCID 1140TolueneHCID 21552-AminothiazoleHCID 19660Carbonate IonHCID 23938Palladium2×HCID 312751,4-DioxaneHCID 95417Dibenzylidene acetone3×HCID 68686094HCID 68686094, compound

Product 1

HCID 11152144HCID 11152144, compound

Sources & evidence

ORD record
ord-1453ac7c495445fba5100328054f897a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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