Acetic Acid → 1-Acetyl-3-[({4-[(3-chloro-2-fluorophenyl)amino]-7-methoxyquinazolin-6-yl}methyl)(methyl)amino]azetidine-3-carboxamide

HRID 1127795Notes

Reaction equation

HRID 1127795 reaction equation
[CH3:34][C:35]([OH:36])=[O:37].[CH:1]([N:2]([CH:3]([CH3:4])[CH3:5])[CH2:6][CH3:7])([CH3:8])[CH3:9].[Cl:39][c:40]1[c:41]([F:69])[c:42]([NH:46][c:47]2[n:48][cH:49][n:50][c:51]3[cH:52][c:53]([O:67][CH3:68])[c:54]([CH2:57][N:58]([C:59]4([C:63](=[O:64])[NH2:65])[CH2:60][NH:61][CH2:62]4)[CH3:66])[cH:55][c:56]23)[cH:43][cH:44][cH:45]1.[Cl:70][CH2:71][Cl:72].[ClH:38].[P-:10]([F:11])([F:12])([F:13])([F:14])([F:15])[F:16].[n:17]1([O:18][C:19]([N:20]([CH3:21])[CH3:22])=[N+:23]([CH3:24])[CH3:25])[c:26]2[n:27][cH:28][cH:29][cH:30][c:31]2[n:32][n:33]1>>[CH3:34][C:35](=[O:36])[N:61]1[CH2:60][C:59]([N:58]([CH2:57][c:54]2[c:53]([O:67][CH3:68])[cH:52][c:51]3[n:50][cH:49][n:48][c:47]([NH:46][c:42]4[c:41]([F:69])[c:40]([Cl:39])[cH:45][cH:44][cH:43]4)[c:56]3[cH:55]2)[CH3:66])([C:63](=[O:64])[NH2:65])[CH2:62]1

Participants

8

Reactant 7

HCID 176Acetic AcidHCID 313Hydrochloric AcidHCID 6344DichloromethaneHCID 9886HexafluorophosphateHCID 81531DiisopropylethylamineHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 579798103-[({4-[(3-Chloro-2-fluorophenyl)amino]-7-methoxyquinazolin-6-yl}methyl)(methyl)amino]azetidine-3-carboxamide

Product 1

HCID 579798861-Acetyl-3-[({4-[(3-chloro-2-fluorophenyl)amino]-7-methoxyquinazolin-6-yl}methyl)(methyl)amino]azetidine-3-carboxamide

Sources & evidence

ORD record
ord-cb76d802c26e4f25a7fb288dd9be0e69
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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