Sodium ion → diethyl 5-(2,4-dichlorophenyl)-2-methyl-6b,9,10,10a-tetrahydro-1H-pyrido[3',4':4,5]pyrrolo[1,2,3-de]quinoxaline-3,8(2H,7H)-dicarboxylate
Reaction equation
[Br:1][c:2]1[cH:3][c:4]2[c:5]3[c:10]([cH:11]1)[N:9]([C:12](=[O:13])[O:14][CH2:15][CH3:16])[CH:8]([CH3:17])[CH2:7][N:6]3[CH:18]1[CH:19]2[CH2:20][N:21]([C:24](=[O:25])[O:26][CH2:27][CH3:28])[CH2:22][CH2:23]1.[C:40](=[O:41])([O-:42])[O-:43].[CH3:51][CH2:52][O:53][C:54](=[O:55])[CH3:56].[Cl:29][c:30]1[c:31]([B:37]([OH:38])[OH:39])[cH:32][cH:33][c:34]([Cl:36])[cH:35]1.[Na+:44].[Na+:45].[O:46]=[CH:47][N:48]([CH3:49])[CH3:50].[cH:57]1[cH:58][cH:59][c:60]([P:61]([Pd:62]([P:63]([c:64]2[cH:65][cH:66][cH:67][cH:68][cH:69]2)([c:70]2[cH:71][cH:72][cH:73][cH:74][cH:75]2)[c:76]2[cH:77][cH:78][cH:79][cH:80][cH:81]2)([P:82]([c:83]2[cH:84][cH:85][cH:86][cH:87][cH:88]2)([c:89]2[cH:90][cH:91][cH:92][cH:93][cH:94]2)[c:95]2[cH:96][cH:97][cH:98][cH:99][cH:100]2)[P:101]([c:102]2[cH:103][cH:104][cH:105][cH:106][cH:107]2)([c:108]2[cH:109][cH:110][cH:111][cH:112][cH:113]2)[c:114]2[cH:115][cH:116][cH:117][cH:118][cH:119]2)([c:120]2[cH:121][cH:122][cH:123][cH:124][cH:125]2)[c:126]2[cH:127][cH:128][cH:129][cH:130][cH:131]2)[cH:132][cH:133]1>>[c:2]1(-[c:31]2[c:30]([Cl:29])[cH:35][c:34]([Cl:36])[cH:33][cH:32]2)[cH:3][c:4]2[c:5]3[c:10]([cH:11]1)[N:9]([C:12](=[O:13])[O:14][CH2:15][CH3:16])[CH:8]([CH3:17])[CH2:7][N:6]3[CH:18]1[CH:19]2[CH2:20][N:21]([C:24](=[O:25])[O:26][CH2:27][CH3:28])[CH2:22][CH2:23]1Participants
8
Reactant 7
HCID 923Sodium ion2×
HCID 6228Dimethylformamide
HCID 8857Ethyl Acetate
HCID 19660Carbonate Ion
HCID 2734659(2,4-Dichlorophenyl)boronic acid
HCID 22036791diethyl 5-bromo-2-methyl-6b,9,10,10a-tetrahydro-1H-pyrido[3',4':4,5]pyrrolo[1,2,3-de]quinoxaline-3,8(2H,7H)-dicarboxylate
HCID 178420554HCID 178420554, compoundProduct 1
Sources & evidence
- ORD record
- ord-2a92c4748aff41929d6de371cd938265
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
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