Hydrochloric Acid → tert-butyl (2-{[(tert-butoxycarbonyl)amino]methyl}-3-{[1-methyl-5-(tritylamino)-1H-pyrazol-4-yl]amino]-3-oxopropyl)carbamate

HRID 295542Notes

Reaction equation

HRID 295542 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][CH2:9][CH:10]([C:11](=[O:12])[OH:13])[CH2:14][NH:15][C:16](=[O:17])[O:18][C:19]([CH3:20])([CH3:21])[CH3:22].[CH2:72]([Cl:73])[Cl:74].[CH3:34][N:35]([CH3:36])[CH2:37][CH2:38][CH2:39][N:40]=[C:41]=[N:42][CH2:43][CH3:44].[CH3:45][n:46]1[n:47][cH:48][c:49]([NH2:71])[c:50]1[NH:51][C:52]([c:53]1[cH:54][cH:55][cH:56][cH:57][cH:58]1)([c:59]1[cH:60][cH:61][cH:62][cH:63][cH:64]1)[c:65]1[cH:66][cH:67][cH:68][cH:69][cH:70]1.[ClH:33].[OH2:75].[OH:23][c:24]1[c:25]2[n:26][n:27][nH:28][c:29]2[cH:30][cH:31][cH:32]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][CH2:9][CH:10]([C:11](=[O:13])[NH:71][c:49]1[cH:48][n:47][n:46]([CH3:45])[c:50]1[NH:51][C:52]([c:53]1[cH:54][cH:55][cH:56][cH:57][cH:58]1)([c:59]1[cH:60][cH:61][cH:62][cH:63][cH:64]1)[c:65]1[cH:66][cH:67][cH:68][cH:69][cH:70]1)[CH2:14][NH:15][C:16](=[O:17])[O:18][C:19]([CH3:20])([CH3:21])[CH3:22]

Participants

8

Reactant 7

HCID 313Hydrochloric AcidHCID 962WaterHCID 6344DichloromethaneHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 222513823-{[(Tert-butoxy)carbonyl]amino}-2-({[(tert-butoxy)carbonyl]amino}methyl)propanoic acidHCID 685167251-methyl-N5-trityl-1H-pyrazole-4,5-diamineHCID 178418300HCID 178418300, compound

Product 1

HCID 86597881tert-butyl (2-{[(tert-butoxycarbonyl)amino]methyl}-3-{[1-methyl-5-(tritylamino)-1H-pyrazol-4-yl]amino]-3-oxopropyl)carbamate

Sources & evidence

ORD record
ord-8a996b0d50e646c1993b4f5ff4e9a102
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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