Dichloromethane → {3-[[(3-Benzyl-5-chloro-4-oxo-3,4-dihydro-pyrrolo[2,1-f][1,2,4]triazin-2-yl) cyclopropyl-methyl]-(4-chloro-benzoyl)-amino]-propyl}-carbamic acid tert-butyl ester
Reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([NH:7][CH2:8][CH2:9][CH2:10][NH:11][CH:12]([CH:13]1[CH2:14][CH2:15]1)[c:16]1[n:17][n:18]2[c:19]([c:20](=[O:29])[n:21]1[CH2:22][c:23]1[cH:24][cH:25][cH:26][cH:27][cH:28]1)[c:30]([Cl:33])[cH:31][cH:32]2)=[O:34].[CH2:52]([Cl:53])[Cl:54].[CH3:35][CH2:36][N:37]([CH2:38][CH3:39])[CH2:40][CH3:41].[Cl:42][c:43]1[cH:44][cH:45][c:46]([C:47](=[O:48])[Cl:49])[cH:50][cH:51]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([NH:7][CH2:8][CH2:9][CH2:10][N:11]([CH:12]([CH:13]1[CH2:14][CH2:15]1)[c:16]1[n:17][n:18]2[c:19]([c:20](=[O:29])[n:21]1[CH2:22][c:23]1[cH:24][cH:25][cH:26][cH:27][cH:28]1)[c:30]([Cl:33])[cH:31][cH:32]2)[C:47]([c:46]1[cH:45][cH:44][c:43]([Cl:42])[cH:51][cH:50]1)=[O:48])=[O:34]Participants
5
Reactant 4
Product 1
Sources & evidence
- ORD record
- ord-ea455d68a89a4b70b5e9e18ce28d8c8a
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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