Calcium Cation → HCID 178527147, compound

HRID 102242

Reaction equation

HRID 102242 reaction equation
[Br:1][c:2]1[cH:3][cH:4][c:5]([B:8]([OH:9])[OH:10])[cH:6][cH:7]1.[C:11](=[O:12])([O-:13])[O-:14].[C:42]([O:43][Cu:44][O:45][C:46](=[O:47])[CH3:48])(=[O:49])[CH3:50].[CH3:39][C:40]#[N:41].[Ca+2:38].[Cl-:36].[Cl-:37].[Cs+:15].[Cs+:16].[O:17]=[S:18]1(=[O:35])[N:19]=[C:20]2[N:21]([CH2:22][CH2:23]1)[CH2:24][CH2:25][CH2:26][CH:27]2[c:28]1[cH:29][cH:30][c:31]([OH:34])[cH:32][cH:33]1.[cH:51]1[cH:52][cH:53][n:54][cH:55][cH:56]1>>[Br:1][c:2]1[cH:3][cH:4][c:5]([O:34][c:31]2[cH:30][cH:29][c:28]([CH:27]3[C:20]4=[N:19][S:18](=[O:17])(=[O:35])[CH2:23][CH2:22][N:21]4[CH2:24][CH2:25][CH2:26]3)[cH:33][cH:32]2)[cH:6][cH:7]1

Participants

10

Reactant 9

HCID 271Calcium CationHCID 312Chloride2×HCID 1049PyridineHCID 6342AcetonitrileHCID 19660Carbonate IonHCID 79599(4-Bromophenyl)boronic acidHCID 104967Cesium cation2×HCID 667477204-(2,2-Dioxido-3,4,6,7,8,9-hexahydropyrido[2,1-c][1,2,4]thiadiazin-9-yl)phenolHCID 178476681HCID 178476681, compound

Product 1

HCID 178527147HCID 178527147, compound

Sources & evidence

ORD record
ord-44405f58a6ef4dd380fa7e7df0904a06
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Linked notes

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