Acetate → (5-(4-[3-Chloro-4-(3-fluoro-benzyloxy)-phenylamino]-quinazolin-6-yl)-furan-2-ylmethyl)-carbamic acid tert-butyl ester

HRID 168603Notes

Reaction equation

HRID 168603 reaction equation
[Br-:73].[C:54]([CH3:55])([CH3:56])([CH3:57])[O:58][C:59]([NH:60][CH2:61][c:62]1[o:63][cH:64][cH:65][cH:66]1)=[O:67].[CH2:74]([N+:75]([CH2:76][CH2:77][CH2:78][CH3:79])([CH2:80][CH2:81][CH2:82][CH3:83])[CH2:84][CH2:85][CH2:86][CH3:87])[CH2:88][CH2:89][CH3:90].[CH3:50][C:51](=[O:52])[O-:53].[CH:30]1([P:31]([CH:32]2[CH2:33][CH2:34][CH2:35][CH2:36][CH2:37]2)[CH:38]2[CH2:39][CH2:40][CH2:41][CH2:42][CH2:43]2)[CH2:44][CH2:45][CH2:46][CH2:47][CH2:48]1.[Cl:2][c:3]1[cH:4][c:5]([NH:18][c:19]2[n:20][cH:21][n:22][c:23]3[cH:24][cH:25][c:26]([I:29])[cH:27][c:28]23)[cH:6][cH:7][c:8]1[O:9][CH2:10][c:11]1[cH:12][c:13]([F:17])[cH:14][cH:15][cH:16]1.[ClH:1].[K+:49].[O:68]=[CH:69][N:70]([CH3:71])[CH3:72].[OH2:91].[Pd:92]([Cl:93])[Cl:94]>>[Cl:2][c:3]1[cH:4][c:5]([NH:18][c:19]2[n:20][cH:21][n:22][c:23]3[cH:24][cH:25][c:26](-[c:64]4[o:63][c:62]([CH2:61][NH:60][C:59]([O:58][C:54]([CH3:55])([CH3:56])[CH3:57])=[O:67])[cH:66][cH:65]4)[cH:27][c:28]23)[cH:6][cH:7][c:8]1[O:9][CH2:10][c:11]1[cH:12][c:13]([F:17])[cH:14][cH:15][cH:16]1

Participants

12

Reactant 11

HCID 175AcetateHCID 259Bromide ionHCID 313Hydrochloric AcidHCID 813Potassium CationHCID 962WaterHCID 6228DimethylformamideHCID 16028TetrabutylammoniumHCID 24290Palladium ChlorideHCID 75806TricyclohexylphosphineHCID 4935496Tert-butyl (furan-2-ylmethyl)carbamateHCID 101745194-Quinazolinamine, N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-iodo-

Product 1

HCID 66623782(5-(4-[3-Chloro-4-(3-fluoro-benzyloxy)-phenylamino]-quinazolin-6-yl)-furan-2-ylmethyl)-carbamic acid tert-butyl ester

Sources & evidence

ORD record
ord-558fda97905a44efbfddaa05ab7b515b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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