Water → HCID 68954093, compound

HRID 1125470

Reaction equation

HRID 1125470 reaction equation
[CH3:30][N:31]1[CH2:32][CH2:33][CH2:34][C:35]1=[O:36].[NH2:10][c:11]1[n:12][c:13]([CH3:29])[c:14]([CH2:18][c:19]2[c:20]([F:28])[cH:21][c:22]([CH2:25][C:26]#[N:27])[cH:23][cH:24]2)[c:15]([Cl:17])[n:16]1.[NH2:1][CH:2]([CH2:3][CH2:4][OH:5])[CH2:6][CH2:7][CH2:8][CH3:9].[OH2:37]>>[NH:1]([CH:2]([CH2:3][CH2:4][OH:5])[CH2:6][CH2:7][CH2:8][CH3:9])[c:15]1[c:14]([CH2:18][c:19]2[c:20]([F:28])[cH:21][c:22]([CH2:25][C:26]#[N:27])[cH:23][cH:24]2)[c:13]([CH3:29])[n:12][c:11]([NH2:10])[n:16]1

Participants

5

Reactant 4

HCID 962WaterHCID 13387N-methyl-2-pyrrolidoneHCID 14337222HCID 14337222, compoundHCID 866334052-(4-((2-Amino-4-chloro-6-methylpyrimidin-5-yl)methyl)-3-fluorophenyl)acetonitrile

Product 1

HCID 68954093HCID 68954093, compound

Sources & evidence

ORD record
ord-9df65ef5c2da4773b57fa252b971140c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Linked notes

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