Water → HCID 58204640, compound

HRID 1538217Notes

Reaction equation

HRID 1538217 reaction equation
[Br:1][c:2]1[cH:3][cH:4][c:5]2[c:6]([cH:28]1)-[c:7]1[n:8]([cH:12][c:13](-[c:15]3[n:16][c:17]([NH2:27])[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:38](=[O:39])([O-:40])[O-:41].[Cs+:42].[Cs+:43].[O:45]1[CH2:46][CH2:47][O:48][CH2:49][CH2:50]1.[OH2:44].[OH:29][B:30]([OH:31])[c:32]1[cH:33][cH:34][cH:35][cH:36][cH:37]1>>[c:2]1(-[c:32]2[cH:33][cH:34][cH:35][cH:36][cH:37]2)[cH:3][cH:4][c:5]2[c:6]([cH:28]1)-[c:7]1[n:8]([cH:12][c:13](-[c:15]3[n:16][c:17]([NH2:27])[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 67050753HCID 67050753, compound

Product 1

HCID 58204640HCID 58204640, compound

Sources & evidence

ORD record
ord-84e39211a7ff4df184e7d73ae93de17f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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