Sodium ion → HCID 10077238, compound

HRID 1239736Notes

Reaction equation

HRID 1239736 reaction equation
[CH3:55][N:56]1[C:57](=[O:62])[CH2:58][NH:59][CH2:60][CH2:61]1.[CH3:65][O:66][CH2:67][CH2:68][OH:69].[Cl:1][c:2]1[c:3]([NH:16][c:17]2[n:18][cH:19][n:20][c:21]3[cH:22][c:23]([O:31][CH2:32][CH2:33][CH2:34][Cl:35])[cH:24][c:25]([O:27][CH:28]([CH3:29])[CH3:30])[c:26]23)[c:4]2[c:5]([c:9]([C:11]#[C:12][CH2:13][O:14][CH3:15])[cH:10]1)[O:6][CH2:7][O:8]2.[Cl:70][CH2:71][Cl:72].[I-:64].[Na+:63].[c:36]1([P:37]([c:38]2[cH:39][cH:40][cH:41][cH:42][cH:43]2)[c:44]2[cH:45][cH:46][cH:47][cH:48][cH:49]2)[cH:50][cH:51][cH:52][cH:53][cH:54]1>>[Cl:1][c:2]1[c:3]([NH:16][c:17]2[n:18][cH:19][n:20][c:21]3[cH:22][c:23]([O:31][CH2:32][CH2:33][CH2:34][N:59]4[CH2:58][C:57](=[O:62])[N:56]([CH3:55])[CH2:61][CH2:60]4)[cH:24][c:25]([O:27][CH:28]([CH3:29])[CH3:30])[c:26]23)[c:4]2[c:5]([c:9]([C:11]#[C:12][CH2:13][O:14][CH3:15])[cH:10]1)[O:6][CH2:7][O:8]2

Participants

8

Reactant 7

HCID 923Sodium ionHCID 6344DichloromethaneHCID 80192-MethoxyethanolHCID 11776TriphenylphosphineHCID 30165Iodide IonHCID 43990421-Methylpiperazin-2-oneHCID 68882095HCID 68882095, compound

Product 1

HCID 10077238HCID 10077238, compound

Sources & evidence

ORD record
ord-9bd0609a2fa046ef94ec138becdf29b2
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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