Ethanol → 2-(1H-Indol-4-yl)-6-(4-methyl-piperazin-1-ylmethyl)-4-morpholin-4-yl-thieno[3,2-d]pyrimidine

HRID 186030Notes

Reaction equation

HRID 186030 reaction equation
[C:37](=[O:38])([O-:39])[OH:40].[CH3:42][c:43]1[cH:44][cH:45][cH:46][cH:47][cH:48]1.[CH3:49][CH2:50][OH:51].[Cl:1][c:2]1[n:3][c:4]([N:19]2[CH2:20][CH2:21][O:22][CH2:23][CH2:24]2)[c:5]2[c:6]([n:7]1)[cH:8][c:9]([CH2:11][N:12]1[CH2:13][CH2:14][N:15]([CH3:18])[CH2:16][CH2:17]1)[s:10]2.[Na+:41].[OH2:52].[nH:25]1[cH:26][cH:27][c:28]2[c:29]([B:34]([OH:35])[OH:36])[cH:30][cH:31][cH:32][c:33]12>>[c:2]1(-[c:29]2[c:28]3[cH:27][cH:26][nH:25][c:33]3[cH:32][cH:31][cH:30]2)[n:3][c:4]([N:19]2[CH2:20][CH2:21][O:22][CH2:23][CH2:24]2)[c:5]2[c:6]([n:7]1)[cH:8][c:9]([CH2:11][N:12]1[CH2:13][CH2:14][N:15]([CH3:18])[CH2:16][CH2:17]1)[s:10]2

Participants

8

Reactant 7

HCID 702EthanolHCID 769Bicarbonate IonHCID 923Sodium ionHCID 962WaterHCID 1140TolueneHCID 27631731H-Indole-4-boronic acidHCID 574203384-(2-Chloro-6-((4-methylpiperazin-1-yl)methyl)thieno[3,2-d]pyrimidin-4-yl)morpholine

Product 1

HCID 116265412-(1H-Indol-4-yl)-6-(4-methyl-piperazin-1-ylmethyl)-4-morpholin-4-yl-thieno[3,2-d]pyrimidine

Sources & evidence

ORD record
ord-39a0c4c6e6d34bb0a17d8f40382fb79a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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