Hydrochloric Acid → (+/-)-1-(4-Amino-quinazolin-7-ylmethyl)-4-(5-chloro-1H-indol-2-ylmethyl)-6-oxo-piperazine-2-carboxylic acid methylamide

HRID 1129875Notes

Reaction equation

HRID 1129875 reaction equation
[CH3:34][N:35]1[CH2:36][CH2:37][O:38][CH2:39][CH2:40]1.[CH3:42][NH2:43].[ClH:41].[NH2:1][c:2]1[n:3][cH:4][n:5][c:6]2[cH:7][c:8]([CH2:12][N:13]3[CH:14]([C:31](=[O:32])[OH:33])[CH2:15][N:16]([CH2:20][c:21]4[nH:22][c:23]5[cH:24][cH:25][c:26]([Cl:30])[cH:27][c:28]5[cH:29]4)[CH2:17][C:18]3=[O:19])[cH:9][cH:10][c:11]12.[O:68]=[CH:69][N:70]([CH3:71])[CH3:72].[P-:44]([F:45])([F:46])([F:47])([F:48])([F:49])[F:50].[n:51]1([O:52][C:53]([N:54]([CH3:55])[CH3:56])=[N+:57]([CH3:58])[CH3:59])[c:60]2[n:61][cH:62][cH:63][cH:64][c:65]2[n:66][n:67]1>>[NH2:1][c:2]1[n:3][cH:4][n:5][c:6]2[cH:7][c:8]([CH2:12][N:13]3[CH:14]([C:31](=[O:33])[NH:35][CH3:34])[CH2:15][N:16]([CH2:20][c:21]4[nH:22][c:23]5[cH:24][cH:25][c:26]([Cl:30])[cH:27][c:28]5[cH:29]4)[CH2:17][C:18]3=[O:19])[cH:9][cH:10][c:11]12

Participants

8

Reactant 7

HCID 313Hydrochloric AcidHCID 6228DimethylformamideHCID 6329MethylamineHCID 79724-MethylmorpholineHCID 9886HexafluorophosphateHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 54503880(+/-)-1-(4-Amino-quinazolin-7-ylmethyl)-4-(5-chloro-1H-indol-2-ylmethyl)-6-oxo-piperazine-2-carboxylic acid

Product 1

HCID 57189062(+/-)-1-(4-Amino-quinazolin-7-ylmethyl)-4-(5-chloro-1H-indol-2-ylmethyl)-6-oxo-piperazine-2-carboxylic acid methylamide

Sources & evidence

ORD record
ord-2a0a23ccf5854615a795f84a56bd5b89
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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