Hydrochloric Acid → Di-tert-butyl {2-[(3-{[1-methyl-5-(tritylamino)pyrazol-4-yl]amino}-3-oxopropanoyl)amino]-1,3-propanediyl}biscarbamate

HRID 2133608Notes

Reaction equation

HRID 2133608 reaction equation
[C:66]([O:67][CH2:68][CH3:69])(=[O:70])[CH3:71].[CH2:84]([Cl:85])[Cl:86].[CH3:1][n:2]1[n:3][cH:4][c:5]([NH:27][C:28]([CH2:29][C:30](=[O:31])[OH:32])=[O:33])[c:6]1[NH:7][C:8]([c:9]1[cH:10][cH:11][cH:12][cH:13][cH:14]1)([c:15]1[cH:16][cH:17][cH:18][cH:19][cH:20]1)[c:21]1[cH:22][cH:23][cH:24][cH:25][cH:26]1.[CH3:55][N:56]([CH3:57])[CH2:58][CH2:59][CH2:60][N:61]=[C:62]=[N:63][CH2:64][CH3:65].[CH:72]([O:73][CH:74]([CH3:75])[CH3:76])([CH3:77])[CH3:78].[ClH:54].[NH2:34][CH:35]([CH2:36][NH:37][C:38]([O:39][C:40]([CH3:41])([CH3:42])[CH3:43])=[O:44])[CH2:45][NH:46][C:47]([O:48][C:49]([CH3:50])([CH3:51])[CH3:52])=[O:53].[O:79]1[CH2:80][CH2:81][CH2:82][CH2:83]1.[OH2:87]>>[CH3:1][n:2]1[n:3][cH:4][c:5]([NH:27][C:28]([CH2:29][C:30](=[O:31])[NH:34][CH:35]([CH2:36][NH:37][C:38]([O:39][C:40]([CH3:41])([CH3:42])[CH3:43])=[O:44])[CH2:45][NH:46][C:47]([O:48][C:49]([CH3:50])([CH3:51])[CH3:52])=[O:53])=[O:33])[c:6]1[NH:7][C:8]([c:9]1[cH:10][cH:11][cH:12][cH:13][cH:14]1)([c:15]1[cH:16][cH:17][cH:18][cH:19][cH:20]1)[c:21]1[cH:22][cH:23][cH:24][cH:25][cH:26]1

Participants

10

Reactant 9

HCID 313Hydrochloric AcidHCID 962WaterHCID 6344DichloromethaneHCID 7914Diisopropyl EtherHCID 8028TetrahydrofuranHCID 8857Ethyl AcetateHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 15186003tert-butyl N-(2-amino-3-{[(tert-butoxy)carbonyl]amino}propyl)carbamateHCID 219045813-{[1-Methyl-5-(tritylamino)pyrazol-4-yl]amino}-3-oxopropanoic acid

Product 1

HCID 86760458Di-tert-butyl {2-[(3-{[1-methyl-5-(tritylamino)pyrazol-4-yl]amino}-3-oxopropanoyl)amino]-1,3-propanediyl}biscarbamate

Sources & evidence

ORD record
ord-da12f2dcf20842f58aa9408993a96cd2
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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