Chloride → HCID 67490685, compound

HRID 2350197Notes

Reaction equation

HRID 2350197 reaction equation
[C:45](=[O:46])([O-:47])[O-:48].[CH3:51][N:52]1[CH2:53][CH2:54][CH2:55][C:56]1=[O:57].[Cl-:58].[Cl:1][c:2]1[cH:3][cH:4][c:5]([CH:8]([CH:9]([CH2:10][CH2:11][CH3:12])[c:13]2[cH:14][cH:15][c:16]([C:17](=[O:18])[NH:19][CH2:20][CH2:21][C:22](=[O:23])[O:24][C:25]([CH3:26])([CH3:27])[CH3:28])[cH:29][cH:30]2)[c:31]2[n:32][nH:33][c:34]3[c:35]([Cl:44])[cH:36][c:37]([C:40]([F:41])([F:42])[F:43])[cH:38][c:39]23)[cH:6][cH:7]1.[Cs+:49].[Cs+:50].[Na+:59]>>[Cl:1][c:2]1[cH:3][cH:4][c:5]([CH:8]([CH:9]([CH2:10][CH2:11][CH3:12])[c:13]2[cH:14][cH:15][c:16]([C:17](=[O:18])[NH:19][CH2:20][CH2:21][C:22](=[O:23])[O:24][C:25]([CH3:26])([CH3:27])[CH3:28])[cH:29][cH:30]2)[c:31]2[n:32]([CH3:45])[n:33][c:34]3[c:35]([Cl:44])[cH:36][c:37]([C:40]([F:41])([F:42])[F:43])[cH:38][c:39]23)[cH:6][cH:7]1

Participants

7

Reactant 6

HCID 312ChlorideHCID 923Sodium ionHCID 13387N-methyl-2-pyrrolidoneHCID 19660Carbonate IonHCID 104967Cesium cation2×HCID 178440966HCID 178440966, compound

Product 1

HCID 67490685HCID 67490685, compound

Sources & evidence

ORD record
ord-d1e89fc281574ac6b7412ce2135ba304
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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