Water → HCID 73003415, compound

HRID 696311Notes

Reaction equation

HRID 696311 reaction equation
[C:53](=[O:54])([O-:55])[O-:56].[CH2:46]([CH3:47])[O:48][C:49]([CH2:50][Br:51])=[O:52].[Cs+:57].[Cs+:58].[F:1][C:2]([c:3]1[cH:4][c:5]([CH2:6][N:7]([c:8]2[n:9][n:10][n:11]([CH3:13])[n:12]2)[CH:14]2[c:15]3[c:16]([cH:28][c:29]([C:33]([F:34])([F:35])[F:36])[c:30]([CH3:32])[cH:31]3)[N:17]([CH2:21][CH:22]3[CH2:23][CH2:24][NH:25][CH2:26][CH2:27]3)[CH2:18][CH2:19][CH2:20]2)[cH:37][c:38]([C:40]([F:41])([F:42])[F:43])[cH:39]1)([F:44])[F:45].[O:60]=[CH:61][N:62]([CH3:63])[CH3:64].[OH2:59]>>[F:1][C:2]([c:3]1[cH:4][c:5]([CH2:6][N:7]([c:8]2[n:9][n:10][n:11]([CH3:13])[n:12]2)[CH:14]2[c:15]3[c:16]([cH:28][c:29]([C:33]([F:34])([F:35])[F:36])[c:30]([CH3:32])[cH:31]3)[N:17]([CH2:21][CH:22]3[CH2:23][CH2:24][N:25]([CH2:50][C:49]([O:48][CH2:46][CH3:47])=[O:52])[CH2:26][CH2:27]3)[CH2:18][CH2:19][CH2:20]2)[cH:37][c:38]([C:40]([F:41])([F:42])[F:43])[cH:39]1)([F:44])[F:45]

Participants

7

Reactant 6

HCID 962WaterHCID 6228DimethylformamideHCID 7748Ethyl bromoacetateHCID 19660Carbonate IonHCID 104967Cesium cation2×HCID 73000636HCID 73000636, compound

Product 1

HCID 73003415HCID 73003415, compound

Sources & evidence

ORD record
ord-d10d2c3684654a70ae705d0fdc16767d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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