Water → HCID 56602708, compound

HRID 2321996Notes

Reaction equation

HRID 2321996 reaction equation
[CH3:33][CH2:34][N:35]=[C:36]=[N:37][CH2:38][CH2:39][CH2:40][N:41]([CH3:42])[CH3:43].[F:1][c:2]1[cH:3][c:4](-[c:8]2[n:9][cH:10][c:11]([C:14](=[O:15])[OH:16])[cH:12][n:13]2)[cH:5][cH:6][cH:7]1.[OH2:44].[n:17]1[c:18]([N:27]2[CH2:28][CH:29]([NH2:32])[CH2:30][CH2:31]2)[n:19][cH:20][c:21]2[c:22]1[CH2:23][CH2:24][O:25][CH2:26]2>>[F:1][c:2]1[cH:3][c:4](-[c:8]2[n:9][cH:10][c:11]([C:14](=[O:16])[NH:32][CH:29]3[CH2:28][N:27]([c:18]4[n:17][c:22]5[c:21]([cH:20][n:19]4)[CH2:26][O:25][CH2:24][CH2:23]5)[CH2:31][CH2:30]3)[cH:12][n:13]2)[cH:5][cH:6][cH:7]1

Participants

5

Reactant 4

HCID 962WaterHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 450733632-(3-Fluorophenyl)pyrimidine-5-carboxylic acidHCID 67007091HCID 67007091, compound

Product 1

HCID 56602708HCID 56602708, compound

Sources & evidence

ORD record
ord-a643c64e9934460cbb3fc291b1b54631
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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