Dimethylformamide → (+/-)-3-[2-(4-Hydroxy-piperidin-1-yl)-thiazol-4-yl]-3-[4-(7-methoxy-quinolin-8-yl)-[1,4]diazepan-1-yl]-1-(4-methyl-piperazin-1-yl)-propan-1-one

HRID 1570249Notes

Reaction equation

HRID 1570249 reaction equation
[CH3:37][N:38]1[CH2:39][CH2:40][NH:41][CH2:42][CH2:43]1.[CH3:44][CH2:45][N:46]([CH2:47][CH3:48])[CH2:49][CH3:50].[Cl:75][CH2:76][Cl:77].[O:78]=[CH:79][N:80]([CH3:81])[CH3:82].[OH:1][CH:2]1[CH2:3][CH2:4][N:5]([c:8]2[s:9][cH:10][c:11]([CH:13]([CH2:14][C:15](=[O:16])[OH:17])[N:18]3[CH2:19][CH2:20][N:21]([c:25]4[c:26]([O:35][CH3:36])[cH:27][cH:28][c:29]5[cH:30][cH:31][cH:32][n:33][c:34]45)[CH2:22][CH2:23][CH2:24]3)[n:12]2)[CH2:6][CH2:7]1.[P-:51]([F:52])([F:53])([F:54])([F:55])([F:56])[F:57].[n:58]1([O:59][C:60]([N:61]([CH3:62])[CH3:63])=[N+:64]([CH3:65])[CH3:66])[c:67]2[n:68][cH:69][cH:70][cH:71][c:72]2[n:73][n:74]1>>[OH:1][CH:2]1[CH2:3][CH2:4][N:5]([c:8]2[s:9][cH:10][c:11]([CH:13]([CH2:14][C:15](=[O:16])[N:41]3[CH2:40][CH2:39][N:38]([CH3:37])[CH2:43][CH2:42]3)[N:18]3[CH2:19][CH2:20][N:21]([c:25]4[c:26]([O:35][CH3:36])[cH:27][cH:28][c:29]5[cH:30][cH:31][cH:32][n:33][c:34]45)[CH2:22][CH2:23][CH2:24]3)[n:12]2)[CH2:6][CH2:7]1

Participants

8

Reactant 7

HCID 6228DimethylformamideHCID 6344DichloromethaneHCID 8471TriethylamineHCID 9886HexafluorophosphateHCID 531671-MethylpiperazineHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 59366189(+/-)-3-[2-(4-Hydroxy-piperidin-1-yl)-thiazol-4-yl]-3-[4-(7-methoxy-quinolin-8-yl)-[1,4]diazepan-1-yl]-propionic acid

Product 1

HCID 59366181(+/-)-3-[2-(4-Hydroxy-piperidin-1-yl)-thiazol-4-yl]-3-[4-(7-methoxy-quinolin-8-yl)-[1,4]diazepan-1-yl]-1-(4-methyl-piperazin-1-yl)-propan-1-one

Sources & evidence

ORD record
ord-2d6f19c839304ae4ad9c435e0e32f7e0
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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