Methyl iodide → 1-(7,8-Bis(4-chlorophenyl)-2-methyl-3-oxo-2,3-dihydro-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl)-3-(ethylamino)azetidine-3-carboxamide
Reaction equation
[Cl:1][c:2]1[cH:3][cH:4][c:5](-[c:6]2[n:7][c:8]([N:9]3[CH2:10][C:11]([NH:12][CH2:13][CH3:14])([C:15]([NH2:16])=[O:17])[CH2:18]3)[n:19]3[c:20](=[O:21])[nH:22][n:23][c:24]3[c:25]2-[c:26]2[cH:27][cH:28][c:29]([Cl:30])[cH:31][cH:32]2)[cH:33][cH:34]1.[Cl:37][c:38]1[cH:39][cH:40][c:41](-[c:44]2[c:45](-[c:66]3[cH:67][cH:68][c:69]([Cl:72])[cH:70][cH:71]3)[c:46]3[n:47]([c:48]([N:50]4[CH2:51][C:52]([C:54](=[O:55])[NH2:56])([NH:57][CH2:58][CH3:59])[CH2:53]4)[n:49]2)[c:60](=[O:65])[n:61]([CH2:63][CH3:64])[n:62]3)[cH:42][cH:43]1.[I:35][CH3:36]>>[Cl:37][c:38]1[cH:39][cH:40][c:41](-[c:44]2[c:45](-[c:66]3[cH:67][cH:68][c:69]([Cl:72])[cH:70][cH:71]3)[c:46]3[n:47]([c:48]([N:50]4[CH2:51][C:52]([C:54](=[O:55])[NH2:56])([NH:57][CH2:58][CH3:59])[CH2:53]4)[n:49]2)[c:60](=[O:65])[n:61]([CH3:63])[n:62]3)[cH:42][cH:43]1Participants
4
Reactant 3
Product 1
Sources & evidence
- ORD record
- ord-f591cd59bd1c485eb65ba6f5c40205b7
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
Reaction notes
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