Bicarbonate Ion → N'-[2-Chloro-4-({6-methoxy-7-[2-(1H-1,2,3-triazol-1-yl)ethoxy]-4-quinazolinyl}oxy)phenyl]-N,N-diethylurea

HRID 124935Notes

Reaction equation

HRID 124935 reaction equation
[C:30](=[O:31])([O-:32])[O-:33].[CH2:66]([NH:67][CH2:68][CH3:69])[CH3:70].[CH3:36][c:37]1[cH:38][cH:39][c:40]([S:41]([O:42][CH2:47][CH2:48][n:49]2[n:50][n:51][cH:52][cH:53]2)(=[O:43])=[O:44])[cH:45][cH:46]1.[CH3:76][N:77]([CH3:78])[CH:79]=[O:80].[CH3:85][CH2:86][N:87]([CH2:88][CH3:89])[CH2:90][CH3:91].[CH:81]([Cl:82])([Cl:83])[Cl:84].[Cl:1][c:2]1[c:3]([NH:22][C:23]([N:24]([CH2:25][CH3:26])[CH2:27][CH3:28])=[O:29])[cH:4][cH:5][c:6]([O:8][c:9]2[n:10][cH:11][n:12][c:13]3[cH:14][c:15]([OH:21])[c:16]([O:19][CH3:20])[cH:17][c:18]23)[cH:7]1.[Cl:54][C:55]([Cl:56])([O:57][C:58](=[O:59])[O:60][C:61]([Cl:62])([Cl:63])[Cl:64])[Cl:65].[K+:34].[K+:35].[Na+:71].[OH2:92].[OH:72][C:73](=[O:74])[O-:75]>>[Cl:1][c:2]1[c:3]([NH:22][C:23]([N:24]([CH2:25][CH3:26])[CH2:27][CH3:28])=[O:29])[cH:4][cH:5][c:6]([O:8][c:9]2[n:10][cH:11][n:12][c:13]3[cH:14][c:15]([O:21][CH2:47][CH2:48][n:49]4[n:50][n:51][cH:52][cH:53]4)[c:16]([O:19][CH3:20])[cH:17][c:18]23)[cH:7]1

Participants

13

Reactant 12

HCID 769Bicarbonate IonHCID 813Potassium Cation2×HCID 923Sodium ionHCID 962WaterHCID 6212ChloroformHCID 6228DimethylformamideHCID 8021DiethylamineHCID 8471TriethylamineHCID 19660Carbonate IonHCID 94429TriphosgeneHCID 226671112-(1H-1,2,3-triazol-1-yl)ethyl 4-methyl-1-benzenesulfonateHCID 135674217N'-{2-chloro-4-[(7-hydroxy-6-methoxy-4-quinazolinyl)oxy]phenyl}-N,N-diethylurea

Product 1

HCID 22667201N'-[2-Chloro-4-({6-methoxy-7-[2-(1H-1,2,3-triazol-1-yl)ethoxy]-4-quinazolinyl}oxy)phenyl]-N,N-diethylurea

Sources & evidence

ORD record
ord-b7dc2c7543ba46e893d7277729921f20
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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