1,2-Dichloroethane → (+/-)-(3-{[1-(3-benzyl-4-oxo-3,4-dihydro-pyrrolo[2,1-f][1,2,4]triazin-2-yl)-propyl]-cyclohexyl-amino}-propyl)-carbamic acid 9H-fluoren-9-ylmethyl ester
Reaction equation
[C:50]([O:51][BH-:52]([O:53][C:54](=[O:55])[CH3:56])[O:57][C:58](=[O:59])[CH3:60])(=[O:61])[CH3:62].[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[n:8]1[c:9]([CH:18]([CH2:19][CH3:20])[NH:21][CH:22]2[CH2:23][CH2:24][CH2:25][CH2:26][CH2:27]2)[n:10][n:11]2[c:12]([c:13]1=[O:14])[cH:15][cH:16][cH:17]2.[Cl:64][CH2:65][CH2:66][Cl:67].[Na+:63].[cH:28]1[cH:29][cH:30][cH:31][c:32]2[c:40]1[CH:39]([CH2:41][O:42][C:43]([NH:44][CH2:45][CH2:46][CH:47]=[O:48])=[O:49])[c:38]1[c:33]-2[cH:34][cH:35][cH:36][cH:37]1>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[n:8]1[c:9]([CH:18]([CH2:19][CH3:20])[N:21]([CH:22]2[CH2:23][CH2:24][CH2:25][CH2:26][CH2:27]2)[CH2:47][CH2:46][CH2:45][NH:44][C:43]([O:42][CH2:41][CH:39]2[c:38]3[c:33]([cH:34][cH:35][cH:36][cH:37]3)-[c:32]3[cH:31][cH:30][cH:29][cH:28][c:40]32)=[O:49])[n:10][n:11]2[c:12]([c:13]1=[O:14])[cH:15][cH:16][cH:17]2Participants
6
Reactant 5
Product 1
Sources & evidence
- ORD record
- ord-e914ab1bdb6f4a2f88de830be13662c8
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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