Ethanol → HCID 24938134, compound

HRID 1148039Notes

Reaction equation

HRID 1148039 reaction equation
[CH3:25][c:26]1[cH:27][cH:28][c:29]([B:35]2[O:36][C:37]([CH3:38])([CH3:39])[C:40]([CH3:41])([CH3:42])[O:43]2)[c:30]2[cH:31][cH:32][nH:33][c:34]12.[CH3:50][c:51]1[cH:52][cH:53][cH:54][cH:55][cH:56]1.[CH3:57][CH2:58][OH:59].[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+:44].[Na+:45].[O-:46][C:47](=[O:48])[O-:49].[OH2:60]>>[c:2]1(-[c:29]2[cH:28][cH:27][c:26]([CH3:25])[c:34]3[c:30]2[cH:31][cH:32][nH:33]3)[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 923Sodium ion2×HCID 962WaterHCID 1140TolueneHCID 19660Carbonate IonHCID 574203384-(2-Chloro-6-((4-methylpiperazin-1-yl)methyl)thieno[3,2-d]pyrimidin-4-yl)morpholineHCID 67361721HCID 67361721, compound

Product 1

HCID 24938134HCID 24938134, compound

Sources & evidence

ORD record
ord-f4866ca91cb946949d7d875350ebf8dc
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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