Hydrochloric Acid → 4-Amino-18-methoxy-20-methyl-7-thia-3,5,10,15-tetraazatricyclo[15.3.1.12,6]docosa-1(20),2(22),3,5,17(21),18-hexaene-11,16-dione

HRID 2348565Notes

Reaction equation

HRID 2348565 reaction equation
[C:47]([O:48][CH2:49][CH3:50])(=[O:51])[CH3:52].[CH2:74]([N:75]=[C:76]=[N:77][CH2:78][CH2:79][CH2:80][N:81]([CH3:82])[CH3:83])[CH3:84].[CH3:8][O:9][C:10]([c:11]1[c:12]([O:42][CH3:43])[cH:13][c:14]([CH3:41])[c:15](-[c:17]2[n:18][c:19]([NH2:40])[n:20][c:21]([S:23][CH2:24][CH2:25][NH:26][C:27]([CH2:28][CH2:29][CH2:30][NH:31][C:33]([O:34][C:35]([CH3:36])([CH3:37])[CH3:38])=[O:44])=[O:39])[cH:22]2)[cH:16]1)=[O:32].[CH:64]([N:65]([CH:66]([CH3:67])[CH3:68])[CH2:69][CH3:70])([CH3:71])[CH3:72].[Cl:85][CH2:86][Cl:87].[ClH:53].[ClH:73].[Li+:45].[OH-:46].[OH:1][C:2]([C:3]([F:4])([F:5])[F:6])=[O:7].[OH:54][n:55]1[c:56]2[cH:57][cH:58][cH:59][cH:60][c:61]2[n:62][n:63]1>>[O:9]=[C:10]1[c:11]2[c:12]([O:42][CH3:43])[cH:13][c:14]([CH3:41])[c:15]([cH:16]2)-[c:17]2[n:18][c:19]([NH2:40])[n:20][c:21]([cH:22]2)[S:23][CH2:24][CH2:25][NH:26][C:27](=[O:39])[CH2:28][CH2:29][CH2:30][NH:31]1

Participants

11

Reactant 10

HCID 313Hydrochloric Acid2×HCID 961HydroxideHCID 6344DichloromethaneHCID 6422Trifluoroacetic acidHCID 8857Ethyl AcetateHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 28486Lithium ionHCID 757711-HydroxybenzotriazoleHCID 81531DiisopropylethylamineHCID 592246835-{2-Amino-6-[2-(4-tert-butoxycarbonylaminobutyrylamino)ethylsulfanyl]pyrimidin-4-yl}-2-methoxy-4-methylbenzoic acid methyl ester

Product 1

HCID 251770894-Amino-18-methoxy-20-methyl-7-thia-3,5,10,15-tetraazatricyclo[15.3.1.12,6]docosa-1(20),2(22),3,5,17(21),18-hexaene-11,16-dione

Sources & evidence

ORD record
ord-51358eae1a95499dba0a807daee8aacb
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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