Toluene → 6-(2-Dimethylaminoethoxy)-2-(3-methoxy-6-pyridin-4-yl-pyridazin-4-yl)-indole-1-carboxylic acid tert-butyl ester
Reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[n:8]1[c:9](-[c:18]2[c:19]([O:30][CH3:31])[n:20][n:21][c:22](-[c:24]3[cH:25][cH:26][n:27][cH:28][cH:29]3)[cH:23]2)[cH:10][c:11]2[cH:12][cH:13][c:14]([OH:17])[cH:15][c:16]12.[CH2:76]1[O:77][CH2:78][CH2:79][CH2:80]1.[CH3:51][N:52]([CH2:53][CH2:54][OH:55])[CH3:56].[CH3:69][c:70]1[cH:71][cH:72][cH:73][cH:74][cH:75]1.[O:57]=[C:58]([O:59][CH2:60][CH3:61])[N:62]=[N:63][C:64]([O:65][CH2:66][CH3:67])=[O:68].[c:32]1([P:33]([c:34]2[cH:35][cH:36][cH:37][cH:38][cH:39]2)[c:40]2[cH:41][cH:42][cH:43][cH:44][cH:45]2)[cH:46][cH:47][cH:48][cH:49][cH:50]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[n:8]1[c:9](-[c:18]2[c:19]([O:30][CH3:31])[n:20][n:21][c:22](-[c:24]3[cH:25][cH:26][n:27][cH:28][cH:29]3)[cH:23]2)[cH:10][c:11]2[cH:12][cH:13][c:14]([O:17][CH2:54][CH2:53][N:52]([CH3:51])[CH3:56])[cH:15][c:16]12Participants
7
Reactant 6
Product 1
Sources & evidence
- ORD record
- ord-9bafe3aa4fec463881606802fb2f2023
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
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