Dichloromethane → [7-(2-Chloro-5-methoxy-phenyl)-5-methyl-benzo[1,2,4]triazin-3-yl]-[4-(3-pyrrolidin-1-yl-propane-1-sulfonyl)-phenyl]-amine

HRID 667971Notes

Reaction equation

HRID 667971 reaction equation
[Br:22][c:23]1[cH:24][cH:25][c:26]([S:29](=[O:30])(=[O:31])[CH2:32][CH2:33][CH2:34][N:35]2[CH2:36][CH2:37][CH2:38][CH2:39]2)[cH:27][cH:28]1.[C:40](=[O:41])([O-:42])[O-:43].[CH:111](=[CH:112][C:113]([CH:114]=[CH:115][c:116]1[cH:117][cH:118][cH:119][cH:120][cH:121]1)=[O:122])[c:123]1[cH:124][cH:125][cH:126][cH:127][cH:128]1.[CH:129](=[CH:130][C:131]([CH:132]=[CH:133][c:134]1[cH:135][cH:136][cH:137][cH:138][cH:139]1)=[O:140])[c:141]1[cH:142][cH:143][cH:144][cH:145][cH:146]1.[CH:93](=[CH:94][C:95]([CH:96]=[CH:97][c:98]1[cH:99][cH:100][cH:101][cH:102][cH:103]1)=[O:104])[c:105]1[cH:106][cH:107][cH:108][cH:109][cH:110]1.[Cl:1][c:2]1[c:3](-[c:10]2[cH:11][c:12]3[c:13]([n:14][c:15]([NH2:18])[n:16][n:17]3)[c:19]([CH3:21])[cH:20]2)[cH:4][c:5]([O:8][CH3:9])[cH:6][cH:7]1.[Cl:88][CH2:89][Cl:90].[Cs+:44].[Cs+:45].[Pd:91].[Pd:92].[c:46]1([P:47]([c:48]2[cH:49][cH:50][cH:51][cH:52][cH:53]2)[c:54]2[c:55]3[c:79]([cH:80][cH:81][cH:82]2)[C:76]([CH3:77])([CH3:78])[c:58]2[c:57]([c:62]([P:63]([c:64]4[cH:65][cH:66][cH:67][cH:68][cH:69]4)[c:70]4[cH:71][cH:72][cH:73][cH:74][cH:75]4)[cH:61][cH:60][cH:59]2)[O:56]3)[cH:83][cH:84][cH:85][cH:86][cH:87]1>>[Cl:1][c:2]1[c:3](-[c:10]2[cH:11][c:12]3[c:13]([n:14][c:15]([NH:18][c:23]4[cH:24][cH:25][c:26]([S:29](=[O:30])(=[O:31])[CH2:32][CH2:33][CH2:34][N:35]5[CH2:36][CH2:37][CH2:38][CH2:39]5)[cH:27][cH:28]4)[n:16][n:17]3)[c:19]([CH3:21])[cH:20]2)[cH:4][c:5]([O:8][CH3:9])[cH:6][cH:7]1

Participants

9

Reactant 8

HCID 6344DichloromethaneHCID 19660Carbonate IonHCID 23938Palladium2×HCID 95417Dibenzylidene acetone3×HCID 104967Cesium cation2×HCID 6360441,1'-(9,9-Dimethyl-9H-xanthene-4,5-diyl)bis(1,1-diphenylphosphine)HCID 248227537-(2-Chloro-5-methoxyphenyl)-5-methylbenzo[e][1,2,4]triazin-3-amineHCID 529828661-(3-(4-Bromophenylsulfonyl)propyl)pyrrolidine

Product 1

HCID 59837755[7-(2-Chloro-5-methoxy-phenyl)-5-methyl-benzo[1,2,4]triazin-3-yl]-[4-(3-pyrrolidin-1-yl-propane-1-sulfonyl)-phenyl]-amine

Sources & evidence

ORD record
ord-7245ec59d87945e5b3d38aba2385b1ea
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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