Toluene → [5-methyl-4-[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]spiro[2H-indole-3,4'-piperidine]-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-7-yl] 4-nitrobenzoate

HRID 289381Notes

Reaction equation

HRID 289381 reaction equation
[C:53]([Cl:54])(=[O:55])[O:56][CH:57]([Cl:58])[CH3:59].[CH3:60][c:61]1[cH:62][cH:63][cH:64][cH:65][cH:66]1.[N+:1](=[O:2])([O-:3])[c:4]1[cH:5][cH:6][c:7]([C:8](=[O:9])[O:10][CH:11]2[CH2:12][CH:13]([CH3:50])[c:14]3[c:15]2[n:16][cH:17][n:18][c:19]3[N:20]2[CH2:21][C:22]3([c:23]4[c:24]([CH2:29][NH:30][C:31](=[O:32])[O:33][C:34]([CH3:35])([CH3:36])[CH3:37])[cH:25][cH:26][cH:27][c:28]42)[CH2:38][CH2:39][N:40]([CH2:43][c:44]2[cH:45][cH:46][cH:47][cH:48][cH:49]2)[CH2:41][CH2:42]3)[cH:51][cH:52]1>>[N+:1](=[O:2])([O-:3])[c:4]1[cH:5][cH:6][c:7]([C:8](=[O:9])[O:10][CH:11]2[CH2:12][CH:13]([CH3:50])[c:14]3[c:15]2[n:16][cH:17][n:18][c:19]3[N:20]2[CH2:21][C:22]3([c:23]4[c:24]([CH2:29][NH:30][C:31](=[O:32])[O:33][C:34]([CH3:35])([CH3:36])[CH3:37])[cH:25][cH:26][cH:27][c:28]42)[CH2:38][CH2:39][NH:40][CH2:41][CH2:42]3)[cH:51][cH:52]1

Participants

4

Reactant 3

HCID 1140TolueneHCID 5213051-Chloroethyl chloroformateHCID 178429140HCID 178429140, compound

Product 1

HCID 178429136[5-methyl-4-[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]spiro[2H-indole-3,4'-piperidine]-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-7-yl] 4-nitrobenzoate

Sources & evidence

ORD record
ord-61fd859d67bb49b5b387ebf3da1fd5d7
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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