Water → HCID 58204606, compound

HRID 1571871Notes

Reaction equation

HRID 1571871 reaction equation
[Br:1][c:2]1[cH:3][cH:4][c:5]2[c:6]([cH:27]1)-[c:7]1[n:8]([cH:12][c:13](-[c:15]3[n:16][cH:17][n:18][n:19]3-[c:20]3[c:21]([Cl:26])[cH:22][cH:23][cH:24][cH:25]3)[n:14]1)[CH2:9][CH2:10][O:11]2.[C:37](=[O:38])([O-:39])[O-:40].[Cs+:41].[Cs+:42].[O:44]1[CH2:45][CH2:46][O:47][CH2:48][CH2:49]1.[OH2:43].[OH:28][B:29]([OH:30])[c:31]1[cH:32][cH:33][cH:34][cH:35][cH:36]1>>[c:2]1(-[c:31]2[cH:32][cH:33][cH:34][cH:35][cH:36]2)[cH:3][cH:4][c:5]2[c:6]([cH:27]1)-[c:7]1[n:8]([cH:12][c:13](-[c:15]3[n:16][cH:17][n:18][n:19]3-[c:20]3[c:21]([Cl:26])[cH:22][cH:23][cH:24][cH:25]3)[n:14]1)[CH2:9][CH2:10][O:11]2

Participants

7

Reactant 6

HCID 962WaterHCID 19660Carbonate IonHCID 312751,4-DioxaneHCID 66827Phenylboronic AcidHCID 104967Cesium cation2×HCID 67050805HCID 67050805, compound

Product 1

HCID 58204606HCID 58204606, compound

Sources & evidence

ORD record
ord-566cc89ffb7a4404b75b87671e43d8dc
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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