Hydrochloric Acid → HCID 178508613, compound

HRID 1220864Notes

Reaction equation

HRID 1220864 reaction equation
[CH3:39][N:40]([CH3:41])[CH2:42][CH2:43][CH2:44][N:45]=[C:46]=[N:47][CH2:48][CH3:49].[CH3:69][N:70]([CH3:71])[CH:72]=[O:73].[CH:50]([N:51]([CH2:52][CH3:53])[CH:54]([CH3:55])[CH3:56])([CH3:57])[CH3:58].[ClH:38].[NH:1]1[CH2:2][CH:3]([n:5]2[n:6][c:7](-[c:15]3[cH:16][cH:17][c:18]([O:21][c:22]4[cH:23][cH:24][cH:25][cH:26][cH:27]4)[cH:19][cH:20]3)[c:8]3[c:9]2[n:10][cH:11][n:12][c:13]3[NH2:14])[CH2:4]1.[Na+:37].[OH:59][n:60]1[c:61]2[n:62][cH:63][cH:64][cH:65][c:66]2[n:67][n:68]1.[nH:28]1[cH:29][n:30][c:31]([CH2:33][C:34](=[O:35])[O-:36])[cH:32]1>>[N:1]1([C:34]([CH2:33][c:31]2[n:30][cH:29][nH:28][cH:32]2)=[O:35])[CH2:2][CH:3]([n:5]2[n:6][c:7](-[c:15]3[cH:16][cH:17][c:18]([O:21][c:22]4[cH:23][cH:24][cH:25][cH:26][cH:27]4)[cH:19][cH:20]3)[c:8]3[c:9]2[n:10][cH:11][n:12][c:13]3[NH2:14])[CH2:4]1

Participants

9

Reactant 8

HCID 313Hydrochloric AcidHCID 923Sodium ionHCID 6228DimethylformamideHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 81531DiisopropylethylamineHCID 181649HOAtHCID 223471371-(3-azetanyl)-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amineHCID 178525225HCID 178525225, compound

Product 1

HCID 178508613HCID 178508613, compound

Sources & evidence

ORD record
ord-1a9f1730fc9e4fb5b21a6db15238ca2f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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