Ethanol → HCID 13588090, compound

HRID 2147268Notes

Reaction equation

HRID 2147268 reaction equation
[C:35](=[O:36])([O-:37])[OH:38].[CH3:40][CH2:41][OH:42].[Cl:1][c:2]1[n:3][cH:4][cH:5][cH:6][n:7]1.[NH2:8][CH2:9][CH2:10][N:11]1[CH2:12][CH2:13][CH:14]([NH:17][c:18]2[n:19][c:20]3[c:21]([n:22]2[CH2:23][c:24]2[cH:25][cH:26][c:27]([F:30])[cH:28][cH:29]2)[cH:31][cH:32][cH:33][cH:34]3)[CH2:15][CH2:16]1.[Na+:39]>>[c:2]1([NH:8][CH2:9][CH2:10][N:11]2[CH2:12][CH2:13][CH:14]([NH:17][c:18]3[n:19][c:20]4[c:21]([n:22]3[CH2:23][c:24]3[cH:25][cH:26][c:27]([F:30])[cH:28][cH:29]3)[cH:31][cH:32][cH:33][cH:34]4)[CH2:15][CH2:16]2)[n:3][cH:4][cH:5][cH:6][n:7]1

Participants

6

Reactant 5

HCID 702EthanolHCID 769Bicarbonate IonHCID 923Sodium ionHCID 744042-ChloropyrimidineHCID 12891741N-[1-(2-aminoethyl)-4-piperidinyl]-1-(4-fluorophenylmethyl)-1H-benzimidazol-2-amine

Product 1

HCID 13588090HCID 13588090, compound

Sources & evidence

ORD record
ord-3208ebac263e4e96bab5a479274fef33
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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