Water → 1-(2-chlorophenyl)-5-(9-(4-chlorophenyl)-5,6-dihydrobenzo[f]imidazo[1,2-d][1,4]oxazepin-2-yl)-1H-1,2,4-triazol-3-ylcarbamic acid

HRID 1228212Notes

Reaction equation

HRID 1228212 reaction equation
[Br:1][c:2]1[cH:3][c:4]2[c:5]([cH:30][cH:31]1)-[c:6]1[n:7]([cH:11][c:12](-[c:14]3[n:15][c:16]([NH:26][C:27]([OH:28])=[O:29])[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:42](=[O:43])([O-:44])[O-:45].[Cl:32][c:33]1[cH:34][cH:35][c:36]([B:39]([OH:40])[OH:41])[cH:37][cH:38]1.[Cs+:46].[Cs+:47].[O:48]1[CH2:49][CH2:50][O:51][CH2:52][CH2:53]1.[OH2:54]>>[c:2]1(-[c:36]2[cH:35][cH:34][c:33]([Cl:32])[cH:38][cH:37]2)[cH:3][c:4]2[c:5]([cH:30][cH:31]1)-[c:6]1[n:7]([cH:11][c:12](-[c:14]3[n:15][c:16]([NH:26][C:27]([OH:28])=[O:29])[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 582049765-(9-Bromo-5,6-dihydrobenzo[f]imidazo[1,2-d][1,4]oxazepin-2-yl)-1-(2-chlorophenyl)-1H-1,2,4-triazol-3-ylcarbamic acid

Product 1

HCID 582050341-(2-chlorophenyl)-5-(9-(4-chlorophenyl)-5,6-dihydrobenzo[f]imidazo[1,2-d][1,4]oxazepin-2-yl)-1H-1,2,4-triazol-3-ylcarbamic acid

Sources & evidence

ORD record
ord-0065c2ca52604853a413b7908d471a27
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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