Water → 9-(4-chlorophenyl)-2-(1-(2-chlorophenyl)-1H-1,2,4-triazol-5-yl)-5,6-dihydrobenzo[f]imidazo[1,2-d][1,4]oxazepine

HRID 1218465Notes

Reaction equation

HRID 1218465 reaction equation
[Br:1][c:2]1[cH:3][c:4]2[c:5]([cH:26][cH:27]1)-[c:6]1[n:7]([cH:11][c:12](-[c:14]3[n:15][cH:16][n:17][n:18]3-[c:19]3[c:20]([Cl:25])[cH:21][cH:22][cH:23][cH:24]3)[n:13]1)[CH2:8][CH2:9][O:10]2.[C:38](=[O:39])([O-:40])[O-:41].[Cl:28][c:29]1[cH:30][cH:31][c:32]([B:35]([OH:36])[OH:37])[cH:33][cH:34]1.[Cs+:42].[Cs+:43].[O:45]1[CH2:46][CH2:47][O:48][CH2:49][CH2:50]1.[OH2:44]>>[c:2]1(-[c:32]2[cH:31][cH:30][c:29]([Cl:28])[cH:34][cH:33]2)[cH:3][c:4]2[c:5]([cH:26][cH:27]1)-[c:6]1[n:7]([cH:11][c:12](-[c:14]3[n:15][cH:16][n:17][n:18]3-[c:19]3[c:20]([Cl:25])[cH:21][cH:22][cH:23][cH:24]3)[n:13]1)[CH2:8][CH2:9][O:10]2

Participants

7

Reactant 6

HCID 962WaterHCID 19660Carbonate IonHCID 312751,4-DioxaneHCID 742994-Chlorophenylboronic acidHCID 104967Cesium cation2×HCID 582049019-bromo-2-(1-(2-chlorophenyl)-1H-1,2,4-triazol-5-yl)-5,6-dihydrobenzo[f]imidazo[1,2-d][1,4]oxazepine

Product 1

HCID 582047539-(4-chlorophenyl)-2-(1-(2-chlorophenyl)-1H-1,2,4-triazol-5-yl)-5,6-dihydrobenzo[f]imidazo[1,2-d][1,4]oxazepine

Sources & evidence

ORD record
ord-07b5864ef67942b3b58c827aaf00461a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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