Benzene → Tert-butyl 4-[1-[(4-methoxyphenyl)methyl]-3-[2-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]ethenyl]-5-phenylpyrazolo[3,4-b]pyridin-4-yl]piperazine-1-carboxylate

HRID 213368Notes

Reaction equation

HRID 213368 reaction equation
[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([CH2:7][n:8]2[n:9][c:10]([C:36]#[C:37][c:38]3[cH:39][n:40][n:41]([CH2:43][c:44]4[cH:45][cH:46][c:47]([O:50][CH3:51])[cH:48][cH:49]4)[cH:42]3)[c:11]3[c:12]2[n:13][cH:14][c:15](-[c:30]2[cH:31][cH:32][cH:33][cH:34][cH:35]2)[c:16]3[N:17]2[CH2:18][CH2:19][N:20]([C:23](=[O:24])[O:25][C:26]([CH3:27])([CH3:28])[CH3:29])[CH2:21][CH2:22]2)[cH:52][cH:53]1.[CH3:64][OH:65].[cH:54]1[cH:55][c:56]2[c:57]([n:58][cH:59][cH:60][cH:61]2)[cH:62][cH:63]1.[cH:66]1[cH:67][cH:68][cH:69][cH:70][cH:71]1>>[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([CH2:7][n:8]2[n:9][c:10]([CH:36]=[CH:37][c:38]3[cH:39][n:40][n:41]([CH2:43][c:44]4[cH:45][cH:46][c:47]([O:50][CH3:51])[cH:48][cH:49]4)[cH:42]3)[c:11]3[c:12]2[n:13][cH:14][c:15](-[c:30]2[cH:31][cH:32][cH:33][cH:34][cH:35]2)[c:16]3[N:17]2[CH2:18][CH2:19][N:20]([C:23](=[O:24])[O:25][C:26]([CH3:27])([CH3:28])[CH3:29])[CH2:21][CH2:22]2)[cH:52][cH:53]1

Participants

5

Reactant 4

HCID 241BenzeneHCID 887MethanolHCID 7047QuinolineHCID 68768812HCID 68768812, compound

Product 1

HCID 68757877Tert-butyl 4-[1-[(4-methoxyphenyl)methyl]-3-[2-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]ethenyl]-5-phenylpyrazolo[3,4-b]pyridin-4-yl]piperazine-1-carboxylate

Sources & evidence

ORD record
ord-d9f46395be894a46be66c08e680480bf
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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