Dimethylformamide → 14-(1-(Bis(tert-butoxycarbonyl)amino)isoquinolin-6-ylamino)-2-oxa-5,12-diaza-tricyclo[13.2.2.16,10]icosa-1(18),6(20),7,9,15(19),16-hexaene-4,13-dione

HRID 143607Notes

Reaction equation

HRID 143607 reaction equation
[CH2:1]([c:6]1[cH:7][cH:10][cH:30][cH:31][cH:32]1)[O:8][C:9](=[O:5])[NH:11][CH2:12][c:13]1[cH:14][c:15]([NH:19][C:20]([CH2:21][O:22][c:23]2[cH:24][cH:25][c:26]([CH:29]([C:2]([OH:3])=[O:4])[NH:33][c:34]3[cH:35][c:36]4[cH:37][cH:38][n:39][c:40]([N:44]([C:45](=[O:46])[O:47][C:48]([CH3:49])([CH3:50])[CH3:51])[C:52](=[O:53])[O:54][C:55]([CH3:56])([CH3:57])[CH3:58])[c:41]4[cH:42][cH:43]3)[cH:27][cH:28]2)=[O:59])[cH:16][cH:17][cH:18]1.[CH3:98][N:99]([c:100]1[cH:101][cH:102][n:103][cH:104][cH:105]1)[CH3:106].[Cl:107][CH2:108][Cl:109].[O:93]=[CH:94][N:95]([CH3:96])[CH3:97].[P-:60]([F:61])([F:62])([F:63])([F:64])([F:65])[F:66].[n:67]1([O:68][P+:69]([N:70]2[CH2:71][CH2:72][CH2:73][CH2:74]2)([N:75]2[CH2:76][CH2:77][CH2:78][CH2:79]2)[N:80]2[CH2:81][CH2:82][CH2:83][CH2:84]2)[c:85]2[cH:86][cH:87][cH:88][cH:89][c:90]2[n:91][n:92]1>>[O:8]=[C:9]1[NH:11][CH2:12][c:13]2[cH:14][c:15]([cH:16][cH:17][cH:18]2)[NH:19][C:20](=[O:59])[CH2:21][O:22][c:23]2[cH:24][cH:25][c:26]([cH:27][cH:28]2)[CH:29]1[NH:33][c:34]1[cH:35][c:36]2[cH:37][cH:38][n:39][c:40]([N:44]([C:45](=[O:46])[O:47][C:48]([CH3:49])([CH3:50])[CH3:51])[C:52](=[O:53])[O:54][C:55]([CH3:56])([CH3:57])[CH3:58])[c:41]2[cH:42][cH:43]1

Participants

7

Reactant 6

HCID 6228DimethylformamideHCID 6344DichloromethaneHCID 9886HexafluorophosphateHCID 142844-(Dimethylamino)pyridineHCID 2724700Benzotriazol-1-yl-oxytripyrrolidinophosphoniumHCID 578426372-(4-(2-(3-((Benzyloxycarbonylamino)methyl)phenylamino)-2-oxoethoxy)phenyl)-2-(1-(bis(tert-butoxycarbonyl)amino)isoquinolin-6-ylamino)acetic acid

Product 1

HCID 5784289714-(1-(Bis(tert-butoxycarbonyl)amino)isoquinolin-6-ylamino)-2-oxa-5,12-diaza-tricyclo[13.2.2.16,10]icosa-1(18),6(20),7,9,15(19),16-hexaene-4,13-dione

Sources & evidence

ORD record
ord-3ed12281fa0b4b8e9ffe21f77aecd242
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

Loading…