Hydrochloric Acid → HCID 59333679, compound

HRID 213307Notes

Reaction equation

HRID 213307 reaction equation
[CH3:13][N:14]([CH2:15][CH2:16][CH2:17][N:18]=[C:19]=[N:20][CH2:21][CH3:22])[CH3:23].[CH3:24][CH2:25][N:26]([CH2:27][CH3:28])[CH2:29][CH3:30].[CH3:64][N:65]([CH2:66][C:67](=[O:68])[OH:69])[CH3:70].[CH3:71][OH:72].[CH3:76][N:77]([CH3:78])[CH:79]=[O:80].[CH:31]1([CH2:34][n:35]2[c:36]3[n:37][c:38](-[c:56]4[cH:57][n:58][c:59]([NH2:62])[n:60][cH:61]4)[n:39][c:40]([N:50]4[CH2:51][CH2:52][O:53][CH2:54][CH2:55]4)[c:41]3[n:42][c:43]2[N:44]2[CH2:45][CH2:46][NH:47][CH2:48][CH2:49]2)[CH2:32][CH2:33]1.[Cl:73][CH2:74][Cl:75].[ClH:12].[ClH:63].[OH2:1].[OH:2][n:3]1[c:4]2[cH:5][cH:6][cH:7][cH:8][c:9]2[n:10][n:11]1>>[CH:31]1([CH2:34][n:35]2[c:36]3[n:37][c:38](-[c:56]4[cH:57][n:58][c:59]([NH2:62])[n:60][cH:61]4)[n:39][c:40]([N:50]4[CH2:51][CH2:52][O:53][CH2:54][CH2:55]4)[c:41]3[n:42][c:43]2[N:44]2[CH2:45][CH2:46][N:47]([C:67]([CH2:66][N:65]([CH3:64])[CH3:70])=[O:68])[CH2:48][CH2:49]2)[CH2:32][CH2:33]1

Participants

11

Reactant 10

HCID 313Hydrochloric Acid2×HCID 673N,N-DimethylglycineHCID 887MethanolHCID 962WaterHCID 6228DimethylformamideHCID 6344DichloromethaneHCID 8471TriethylamineHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 757711-HydroxybenzotriazoleHCID 593335735-[9-(Cyclopropylmethyl)-6-morpholin-4-yl-8-piperazin-1-yl-9H-purin-2-yl]pyrimidin-2-amine

Product 1

HCID 59333679HCID 59333679, compound

Sources & evidence

ORD record
ord-41aea7b5072c4855a0e64c880fa34994
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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