Benzene → methyl 3-(tert-butoxycarbonyl)-1-(chloromethyl)-1,2-dihydro-3H-benzo[e]indole-7-carboxylate

HRID 163952Notes

Reaction equation

HRID 163952 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]([c:9]1[c:10]([Br:23])[c:11]2[cH:12][cH:13][c:14]([C:19](=[O:20])[O:21][CH3:22])[cH:15][c:16]2[cH:17][cH:18]1)[CH2:24][CH:25]=[CH:26][Cl:27].[CH3:28][CH2:29][CH2:30][CH2:31][SnH:32]([CH2:33][CH2:34][CH2:35][CH3:36])[CH2:37][CH2:38][CH2:39][CH3:40].[N:41]#[C:42][C:43]([N:44]=[N:45][C:46]([C:47]#[N:48])([CH3:49])[CH3:50])([CH3:51])[CH3:52].[cH:53]1[cH:54][cH:55][cH:56][cH:57][cH:58]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[c:9]2[c:10]([c:11]3[cH:12][cH:13][c:14]([C:19](=[O:20])[O:21][CH3:22])[cH:15][c:16]3[cH:17][cH:18]2)[CH:25]([CH2:26][Cl:27])[CH2:24]1

Participants

5

Reactant 4

HCID 241BenzeneHCID 5948TributylstannaneHCID 6547AzobisisobutyronitrileHCID 75066180Methyl 2-[(tert-butoxycarbonyl)(3-chloro-2-propen-1-yl)amino]-1-bromo-6-naphthoate

Product 1

HCID 44550493methyl 3-(tert-butoxycarbonyl)-1-(chloromethyl)-1,2-dihydro-3H-benzo[e]indole-7-carboxylate

Sources & evidence

ORD record
ord-cb0996e433a748d685d4a2f0b3f56c80
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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