Bicarbonate Ion → HCID 12004101, compound

HRID 126411Notes

Reaction equation

HRID 126411 reaction equation
[C:37](=[O:38])([OH:39])[O-:40].[CH3:34][C:35]#[N:36].[CH3:42][CH2:43][O:44][C:45]([CH3:46])=[O:47].[Cl:1][c:2]1[c:3]2[c:4]([n:5][cH:6][n:7]1)[CH2:8][N:9]([c:12]1[n:13][cH:14][cH:15][cH:16][c:17]1[Cl:18])[CH2:10][CH2:11]2.[NH2:19][c:20]1[cH:21][cH:22][c:23]2[c:27]([cH:28]1)[N:26]([C:29]([CH3:30])=[O:31])[CH2:25][C:24]2([CH3:32])[CH3:33].[Na+:41]>>[c:2]1([NH:19][c:20]2[cH:21][cH:22][c:23]3[c:27]([cH:28]2)[N:26]([C:29]([CH3:30])=[O:31])[CH2:25][C:24]3([CH3:32])[CH3:33])[c:3]2[c:4]([n:5][cH:6][n:7]1)[CH2:8][N:9]([c:12]1[n:13][cH:14][cH:15][cH:16][c:17]1[Cl:18])[CH2:10][CH2:11]2

Participants

7

Reactant 6

HCID 769Bicarbonate IonHCID 923Sodium ionHCID 6342AcetonitrileHCID 8857Ethyl AcetateHCID 218651761-(6-Amino-3,3-dimethylindolin-1-yl)ethanoneHCID 590214784-Chloro-7-(3-chloropyridin-2-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine

Product 1

HCID 12004101HCID 12004101, compound

Sources & evidence

ORD record
ord-6d9a07023d0e464b8a16780118fd93a7
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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