4-(4-tert-Butoxycarbonylamino-phenylsulfanyl)-3-(7-isopropyl-pyrido[2,3-d]pyrimidin-4-ylamino)-benzoic acid → HCID 136384405, compound
Reaction equation
[C:30]([CH3:31])([CH3:32])([CH3:33])[O:34][C:35](=[O:36])[NH:37][c:38]1[cH:39][cH:40][c:41]([S:44][c:45]2[c:46]([NH:54][c:55]3[c:56]4[c:57]([n:58][cH:59][n:60]3)[n:61][c:62]([CH:65]([CH3:66])[CH3:67])[cH:63][cH:64]4)[cH:47][c:48]([C:49](=[O:50])[OH:51])[cH:52][cH:53]2)[cH:42][cH:43]1.[NH2:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[n:9][c:10]([CH:13]3[N:14]([C:18]([CH:19]([c:20]4[cH:21][cH:22][cH:23][cH:24][cH:25]4)[N:26]([CH3:27])[CH3:28])=[O:29])[CH2:15][CH2:16][CH2:17]3)[nH:11][cH:12]2)[cH:6][cH:7]1>>[NH:1]([c:2]1[cH:3][cH:4][c:5](-[c:8]2[n:9][c:10]([CH:13]3[N:14]([C:18]([CH:19]([c:20]4[cH:21][cH:22][cH:23][cH:24][cH:25]4)[N:26]([CH3:27])[CH3:28])=[O:29])[CH2:15][CH2:16][CH2:17]3)[nH:11][cH:12]2)[cH:6][cH:7]1)[C:49]([c:48]1[cH:47][c:46]([NH:54][c:55]2[c:56]3[c:57]([n:58][cH:59][n:60]2)[n:61][c:62]([CH:65]([CH3:66])[CH3:67])[cH:63][cH:64]3)[c:45]([S:44][c:41]2[cH:40][cH:39][c:38]([NH:37][C:35]([O:34][C:30]([CH3:31])([CH3:32])[CH3:33])=[O:36])[cH:43][cH:42]2)[cH:53][cH:52]1)=[O:50]Participants
3
Sources & evidence
- ORD record
- ord-4f24e51fd9e64404bff8a7703eca0ae6
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
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