Dichloromethane → tert-butyl 2-(1-isopropyl-1H-1,2,4-triazol-5-yl)-5,6-dihydrobenzo[f]imidazo[1,2-d][1,4]oxazepin-9-ylcarbamate

HRID 685813Notes

Reaction equation

HRID 685813 reaction equation
[Br:1][c:2]1[cH:3][c:4]2[c:5]([cH:22][cH:23]1)-[c:6]1[n:7]([cH:11][c:12](-[c:14]3[n:15][cH:16][n:17][n:18]3[CH:19]([CH3:20])[CH3:21])[n:13]1)[CH2:8][CH2:9][O:10]2.[C:24]([NH2:25])([O:26][C:27]([CH3:28])([CH3:29])[CH3:30])=[O:31].[C:32](=[O:33])([O-:34])[O-:35].[CH2:80]1[O:81][CH2:82][CH2:83][O:84][CH2:85]1.[Cl:86][CH2:87][Cl:88].[Cs+:36].[Cs+:37].[O:109]=[C:110]([CH:111]=[CH:112][c:113]1[cH:114][cH:115][cH:116][cH:117][cH:118]1)[CH:119]=[CH:120][c:121]1[cH:122][cH:123][cH:124][cH:125][cH:126]1.[O:127]=[C:128]([CH:129]=[CH:130][c:131]1[cH:132][cH:133][cH:134][cH:135][cH:136]1)[CH:137]=[CH:138][c:139]1[cH:140][cH:141][cH:142][cH:143][cH:144]1.[O:91]=[C:92]([CH:93]=[CH:94][c:95]1[cH:96][cH:97][cH:98][cH:99][cH:100]1)[CH:101]=[CH:102][c:103]1[cH:104][cH:105][cH:106][cH:107][cH:108]1.[Pd:89].[Pd:90].[c:38]1([P:39]([c:40]2[cH:41][cH:42][cH:43][cH:44][cH:45]2)[c:46]2[c:47]3[c:71]([cH:72][cH:73][cH:74]2)[C:68]([CH3:69])([CH3:70])[c:50]2[c:49]([c:54]([P:55]([c:56]4[cH:57][cH:58][cH:59][cH:60][cH:61]4)[c:62]4[cH:63][cH:64][cH:65][cH:66][cH:67]4)[cH:53][cH:52][cH:51]2)[O:48]3)[cH:75][cH:76][cH:77][cH:78][cH:79]1>>[c:2]1([NH:25][C:24]([O:26][C:27]([CH3:28])([CH3:29])[CH3:30])=[O:31])[cH:3][c:4]2[c:5]([cH:22][cH:23]1)-[c:6]1[n:7]([cH:11][c:12](-[c:14]3[n:15][cH:16][n:17][n:18]3[CH:19]([CH3:20])[CH3:21])[n:13]1)[CH2:8][CH2:9][O:10]2

Participants

10

Reactant 9

HCID 6344DichloromethaneHCID 19660Carbonate IonHCID 23938Palladium2×HCID 312751,4-DioxaneHCID 77922tert-Butyl carbamateHCID 95417Dibenzylidene acetone3×HCID 104967Cesium cation2×HCID 6360441,1'-(9,9-Dimethyl-9H-xanthene-4,5-diyl)bis(1,1-diphenylphosphine)HCID 582043138-bromo-2-(2-isopropyl-2H-[1,2,4]triazol-3-yl)-4,5-dihydro-6-oxa-1,3a-diaza-benzo[e]azulene

Product 1

HCID 67050756tert-butyl 2-(1-isopropyl-1H-1,2,4-triazol-5-yl)-5,6-dihydrobenzo[f]imidazo[1,2-d][1,4]oxazepin-9-ylcarbamate

Sources & evidence

ORD record
ord-c9b52230080543cabc3d188e2dbca526
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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