(RS)-{4-[2-(7-Isopropyl-pyrido[2,3-d]pyrimidin-4-ylamino)-4-(1-phenyl-ethylcarbamoyl)-phenylsulfanyl]-phenyl}-carbamic acid tert-butyl ester → HCID 67040576, compound
Reaction equation
[C:48]([O:49][C:50](=[O:51])[NH:52][c:53]1[cH:54][cH:55][c:56]([S:57][c:58]2[cH:59][cH:60][c:61]([C:62](=[O:63])[NH:64][CH:65]([c:66]3[cH:67][cH:68][cH:69][cH:70][cH:71]3)[CH3:72])[cH:73][c:74]2[NH:75][c:76]2[c:77]3[cH:78][cH:79][c:80]([CH:81]([CH3:82])[CH3:83])[n:84][c:85]3[n:86][cH:87][n:88]2)[cH:89][cH:90]1)([CH3:91])([CH3:92])[CH3:93].[CH:1]1([NH:10][C:11](=[O:12])[c:13]2[cH:14][c:15]([NH:34][c:35]3[c:36]4[c:37]([n:38][cH:39][n:40]3)[n:41][c:42]([CH:45]([CH3:46])[CH3:47])[cH:43][cH:44]4)[c:16]([S:19][c:20]3[cH:21][cH:22][c:23]([NH:26][C:27](=[O:28])[O:29][C:30]([CH3:31])([CH3:32])[CH3:33])[cH:24][cH:25]3)[cH:17][cH:18]2)[CH2:2][CH2:3][c:4]2[cH:5][cH:6][cH:7][cH:8][c:9]21>>[CH:1]1([NH:10][C:11](=[O:12])[c:13]2[cH:14][c:15]([NH:34][c:35]3[c:36]4[c:37]([n:38][cH:39][n:40]3)[n:41][c:42]([CH:45]([CH3:46])[CH3:47])[cH:43][cH:44]4)[c:16]([S:19][c:20]3[cH:21][cH:22][c:23]([NH2:26])[cH:24][cH:25]3)[cH:17][cH:18]2)[CH2:2][CH2:3][c:4]2[cH:5][cH:6][cH:7][cH:8][c:9]21Participants
3
Sources & evidence
- ORD record
- ord-6a2525960ee9416fbd87246aa2812317
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
Reaction notes
Loading…