Toluene → 1-[(4-methylphenyl)sulphonyl]-N-phenyl-1H-pyrrolo[2,3-b]pyridin-5-amine

HRID 146132Notes

Reaction equation

HRID 146132 reaction equation
[Br:1][c:2]1[cH:3][c:4]2[c:5]([n:6][cH:7]1)[n:8]([S:11](=[O:12])(=[O:13])[c:14]1[cH:15][cH:16][c:17]([CH3:20])[cH:18][cH:19]1)[cH:9][cH:10]2.[C:63](=[O:64])([O-:65])[O-:66].[CH3:21][C:22]1([CH3:23])[c:24]2[cH:25][cH:26][cH:27][c:28]([P:29]([c:30]3[cH:31][cH:32][cH:33][cH:34][cH:35]3)[c:36]3[cH:37][cH:38][cH:39][cH:40][cH:41]3)[c:42]2[O:43][c:44]2[c:45]1[cH:46][cH:47][cH:48][c:49]2[P:50]([c:51]1[cH:52][cH:53][cH:54][cH:55][cH:56]1)[c:57]1[cH:58][cH:59][cH:60][cH:61][cH:62]1.[CH3:76][c:77]1[cH:78][cH:79][cH:80][cH:81][cH:82]1.[Cs+:67].[Cs+:68].[NH2:69][c:70]1[cH:71][cH:72][cH:73][cH:74][cH:75]1>>[c:2]1([NH:69][c:70]2[cH:71][cH:72][cH:73][cH:74][cH:75]2)[cH:3][c:4]2[c:5]([n:6][cH:7]1)[n:8]([S:11](=[O:12])(=[O:13])[c:14]1[cH:15][cH:16][c:17]([CH3:20])[cH:18][cH:19]1)[cH:9][cH:10]2

Participants

7

Reactant 6

HCID 1140TolueneHCID 6115AnilineHCID 19660Carbonate IonHCID 104967Cesium cation2×HCID 6360441,1'-(9,9-Dimethyl-9H-xanthene-4,5-diyl)bis(1,1-diphenylphosphine)HCID 224773531H-Pyrrolo[2,3-B]pyridine, 5-bromo-1-[(4-methylphenyl)sulfonyl]-

Product 1

HCID 671317181-[(4-methylphenyl)sulphonyl]-N-phenyl-1H-pyrrolo[2,3-b]pyridin-5-amine

Sources & evidence

ORD record
ord-d4aec9c9624441d6a40b803e0564c528
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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