Water → HCID 66883198, compound

HRID 1143543Notes

Reaction equation

HRID 1143543 reaction equation
[C:29](=[O:30])([O-:31])[O-:32].[CH3:44][N:45]([CH3:46])[CH:47]=[O:48].[CH3:50][CH2:51][O:52][CH2:53][CH3:54].[Cl:1][c:2]1[cH:3][cH:4][cH:5][c:6]2[cH:7][c:8](-[c:22]3[cH:23][cH:24][c:25]([OH:28])[cH:26][cH:27]3)[n:9]([CH2:13][c:14]3[c:15]([F:21])[cH:16][c:17]([F:20])[cH:18][cH:19]3)[c:10](=[O:12])[c:11]12.[Cl:35][c:36]1[c:37]([C:38]#[N:39])[cH:40][cH:41][cH:42][n:43]1.[Cs+:33].[Cs+:34].[OH2:49]>>[Cl:1][c:2]1[cH:3][cH:4][cH:5][c:6]2[cH:7][c:8](-[c:22]3[cH:23][cH:24][c:25]([O:28][c:36]4[c:37]([C:38]#[N:39])[cH:40][cH:41][cH:42][n:43]4)[cH:26][cH:27]3)[n:9]([CH2:13][c:14]3[c:15]([F:21])[cH:16][c:17]([F:20])[cH:18][cH:19]3)[c:10](=[O:12])[c:11]12

Participants

8

Reactant 7

HCID 962WaterHCID 3283Diethyl EtherHCID 6228DimethylformamideHCID 19660Carbonate IonHCID 810792-ChloronicotinonitrileHCID 104967Cesium cation2×HCID 10475949HCID 10475949, compound

Product 1

HCID 66883198HCID 66883198, compound

Sources & evidence

ORD record
ord-34a2a48f2e4c4fccb3f7cd7565b5cdeb
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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