Water → HCID 86617421, compound

HRID 2342405Notes

Reaction equation

HRID 2342405 reaction equation
[C:1](=[O:2])([O-:3])[O-:4].[CH2:60]1[O:61][CH2:62][CH2:63][O:64][CH2:65]1.[CH3:55][N:56]([CH3:57])[CH:58]=[O:59].[Cs+:5].[Cs+:6].[I:7][c:8]1[cH:9][c:10]([N:14]([S:15](=[O:16])(=[O:17])[CH3:18])[CH3:19])[cH:11][cH:12][cH:13]1.[OH2:66].[OH:20][c:21]1[c:22]([C:23](=[O:24])[O:25][C:26]([CH3:27])([CH3:28])[CH3:29])[c:30]([CH2:38][O:39][c:40]2[cH:41][cH:42][c:43]([B:46]3[O:47][C:48]([CH3:49])([CH3:50])[C:51]([CH3:52])([CH3:53])[O:54]3)[cH:44][cH:45]2)[cH:31][cH:32][c:33]1[C:34]([F:35])([F:36])[F:37]>>[c:8]1(-[c:43]2[cH:42][cH:41][c:40]([O:39][CH2:38][c:30]3[c:22]([C:23](=[O:24])[O:25][C:26]([CH3:27])([CH3:28])[CH3:29])[c:21]([OH:20])[c:33]([C:34]([F:35])([F:36])[F:37])[cH:32][cH:31]3)[cH:45][cH:44]2)[cH:9][c:10]([N:14]([S:15](=[O:16])(=[O:17])[CH3:18])[CH3:19])[cH:11][cH:12][cH:13]1

Participants

8

Reactant 7

HCID 962WaterHCID 6228DimethylformamideHCID 19660Carbonate IonHCID 312751,4-DioxaneHCID 104967Cesium cation2×HCID 67119153Tert-butyl 2-hydroxy-6-{[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]methyl}-3-(trifluoromethyl)benzoateHCID 67119370N-(3-iodophenyl)-N-methylmethanesulfonamide

Product 1

HCID 86617421HCID 86617421, compound

Sources & evidence

ORD record
ord-821ba222bbed4cf98e6545a4370e147a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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