Potassium Cation → 4-(4-Amino-6-(5-chloro-1H-indol-4-ylmethyl)-(1,3,5)triazin-2-ylamino)-benzonitrile

HRID 111484Notes

Reaction equation

HRID 111484 reaction equation
[CH3:1][OH:2].[K+:40].[K+:41].[NH2:3][c:4]1[n:5][c:6]([CH2:19][c:20]2[c:21]3[cH:22][cH:23][n:24]([S:30]([c:31]4[cH:32][cH:33][c:34]([CH3:35])[cH:36][cH:37]4)(=[O:38])=[O:39])[c:25]3[cH:26][cH:27][c:28]2[Cl:29])[n:7][c:8]([NH:10][c:11]2[cH:12][cH:13][c:14]([C:17]#[N:18])[cH:15][cH:16]2)[n:9]1.[O-:42][C:43]([O-:44])=[O:45].[OH2:46]>>[NH2:3][c:4]1[n:5][c:6]([CH2:19][c:20]2[c:21]3[cH:22][cH:23][nH:24][c:25]3[cH:26][cH:27][c:28]2[Cl:29])[n:7][c:8]([NH:10][c:11]2[cH:12][cH:13][c:14]([C:17]#[N:18])[cH:15][cH:16]2)[n:9]1

Participants

6

Reactant 5

HCID 813Potassium Cation2×HCID 887MethanolHCID 962WaterHCID 19660Carbonate IonHCID 22281693HCID 22281693, compound

Product 1

HCID 4485334-(4-Amino-6-(5-chloro-1H-indol-4-ylmethyl)-(1,3,5)triazin-2-ylamino)-benzonitrile

Sources & evidence

ORD record
ord-1f939f5446564bb7b6a6250b06b4eb24
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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