Dimethylformamide → 1-({2-(Hex-5-enyl-methyl-carbamoyl)-4-[2-(3-isopropyl-pyrazol-1-yl)-7-methoxy-8-methyl-quinazolin-4-yloxy]-cyclopentanecarbonyl}-amino)-2-vinyl-cyclopropane-carboxylic acid ethyl ester
Reaction equation
[CH2:15]([CH3:16])[O:17][C:18](=[O:19])[C:20]1([NH:25][C:26](=[O:27])[CH:28]2[CH:29]([C:34]([N:35]([CH3:36])[CH2:37][CH2:38][CH2:39][CH2:40][CH:41]=[CH2:42])=[O:43])[CH2:30][CH:31]([OH:33])[CH2:32]2)[CH:21]([CH:23]=[CH2:24])[CH2:22]1.[O:1]=[C:2]([O:3][CH:4]([CH3:5])[CH3:6])[N:7]=[N:8][C:9]([O:10][CH:11]([CH3:12])[CH3:13])=[O:14].[O:85]=[CH:86][N:87]([CH3:88])[CH3:89].[OH:44][c:45]1[n:46][c:47](-[n:58]2[n:59][c:60]([CH:63]([CH3:64])[CH3:65])[cH:61][cH:62]2)[n:48][c:49]2[c:50]([CH3:57])[c:51]([O:55][CH3:56])[cH:52][cH:53][c:54]12.[c:66]1([P:67]([c:68]2[cH:69][cH:70][cH:71][cH:72][cH:73]2)[c:74]2[cH:75][cH:76][cH:77][cH:78][cH:79]2)[cH:80][cH:81][cH:82][cH:83][cH:84]1>>[CH2:15]([CH3:16])[O:17][C:18](=[O:19])[C:20]1([NH:25][C:26](=[O:27])[CH:28]2[CH:29]([C:34]([N:35]([CH3:36])[CH2:37][CH2:38][CH2:39][CH2:40][CH:41]=[CH2:42])=[O:43])[CH2:30][CH:31]([O:33][c:45]3[n:46][c:47](-[n:58]4[n:59][c:60]([CH:63]([CH3:64])[CH3:65])[cH:61][cH:62]4)[n:48][c:49]4[c:50]([CH3:57])[c:51]([O:55][CH3:56])[cH:52][cH:53][c:54]34)[CH2:32]2)[CH:21]([CH:23]=[CH2:24])[CH2:22]1Participants
6
Reactant 5
HCID 6228Dimethylformamide
HCID 11776Triphenylphosphine
HCID 75555Diisopropyl diazene-1,2-dicarboxylate
HCID 668706071-{[2-(Hex-5-enyl-methyl-carbamoyl)-4-hydroxy-cyclopentanecarbonyl]-amino}-2-vinyl-cyclopropanecarboxylic acid ethyl ester
HCID 1784877607-methoxy-8-methyl-2-(3-propan-2-ylpyrazol-1-yl)-1H-quinazolin-4-oneProduct 1
Sources & evidence
- ORD record
- ord-7e62906835e242cdb69711605bf43e6d
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
Reaction notes
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