Hydrochloric Acid → HCID 67112014, compound

HRID 1146141Notes

Reaction equation

HRID 1146141 reaction equation
[CH3:39][N:40]1[CH2:41][CH2:42][CH2:43][C:44]1=[O:45].[CH:46]([N:47]([CH:48]([CH3:49])[CH3:50])[CH2:51][CH3:52])([CH3:53])[CH3:54].[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].[ClH:14].[ClH:15].[ClH:16].[N:17]1([CH2:22][CH2:23][n:24]2[c:25]([CH:33]3[CH2:34][CH2:35][NH:36][CH2:37][CH2:38]3)[n:26][c:27]([C:29]([F:30])([F:31])[F:32])[cH:28]2)[CH2:18][CH2:19][CH2:20][CH2:21]1.[OH2:55]>>[c:2]1([N:36]2[CH2:35][CH2:34][CH:33]([c:25]3[n:24]([CH2:23][CH2:22][N:17]4[CH2:18][CH2:19][CH2:20][CH2:21]4)[cH:28][c:27]([C:29]([F:30])([F:31])[F:32])[n:26]3)[CH2:38][CH2:37]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 313Hydrochloric Acid3×HCID 962WaterHCID 13387N-methyl-2-pyrrolidoneHCID 81531DiisopropylethylamineHCID 67113455HCID 67113455, compoundHCID 866665664-chloro-5-methyl-5,6-dihydropyrido[2,3-d]pyrimidin-7(8H)-one

Product 1

HCID 67112014HCID 67112014, compound

Sources & evidence

ORD record
ord-b154738f37b0464b992b3aaf3d5168d6
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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