Water → HCID 67112031, compound

HRID 1547016Notes

Reaction equation

HRID 1547016 reaction equation
[CH3:59][N:60]1[CH2:61][CH2:62][CH2:63][C:64]1=[O:65].[CH:66]([N:67]([CH:68]([CH3:69])[CH3:70])[CH2:71][CH3:72])([CH3:73])[CH3:74].[Cl:1][c:2]1[c:3]2[c:4]([n:5][cH:6][n:7]1)[NH:8][C:9](=[O:13])[CH2:10][CH:11]2[CH3:12].[F:14][C:15]([F:16])([F:17])[C:18]([OH:19])=[O:20].[F:21][C:22]([F:23])([F:24])[C:25]([OH:26])=[O:27].[F:28][C:29]([F:30])([F:31])[C:32]([OH:33])=[O:34].[F:35][C:36]([CH2:37][CH2:38][c:39]1[n:40][c:41]([CH:51]2[CH2:52][CH2:53][NH:54][CH2:55][CH2:56]2)[n:42]([CH2:44][CH2:45][N:46]2[CH2:47][CH2:48][CH2:49][CH2:50]2)[cH:43]1)([F:57])[F:58].[OH2:75]>>[c:2]1([N:54]2[CH2:53][CH2:52][CH:51]([c:41]3[n:40][c:39]([CH2:38][CH2:37][C:36]([F:35])([F:57])[F:58])[cH:43][n:42]3[CH2:44][CH2:45][N:46]3[CH2:47][CH2:48][CH2:49][CH2:50]3)[CH2:56][CH2:55]2)[c:3]2[c:4]([n:5][cH:6][n:7]1)[NH:8][C:9](=[O:13])[CH2:10][CH:11]2[CH3:12]

Participants

7

Reactant 6

HCID 962WaterHCID 6422Trifluoroacetic acid3×HCID 13387N-methyl-2-pyrrolidoneHCID 81531DiisopropylethylamineHCID 866665664-chloro-5-methyl-5,6-dihydropyrido[2,3-d]pyrimidin-7(8H)-oneHCID 86666584HCID 86666584, compound

Product 1

HCID 67112031HCID 67112031, compound

Sources & evidence

ORD record
ord-8d8f75873f514bc8aaae20ff2b4191cf
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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