Dimethylformamide → (2-{1-benzenesulfonyl-4-[1-(2-cyano-ethyl)-piperidin-4-ylamino]-1H-pyrrolo[2,3-b]pyridin-5-ylcarbamoyl}-ethyl)-carbamic acid 9H-fluoren-9-ylmethyl ester

HRID 1560360Notes

Reaction equation

HRID 1560360 reaction equation
[C:1](=[O:2])([O:3][CH2:4][CH:5]1[c:6]2[cH:7][cH:8][cH:9][cH:10][c:11]2-[c:12]2[cH:13][cH:14][cH:15][cH:16][c:17]21)[NH:18][CH2:19][CH2:20][C:21](=[O:22])[OH:23].[CH:48]([N:49]([CH:50]([CH3:51])[CH3:52])[CH2:53][CH3:54])([CH3:55])[CH3:56].[NH2:57][c:58]1[c:59]([NH:76][CH:77]2[CH2:78][CH2:79][N:80]([CH2:83][CH2:84][C:85]#[N:86])[CH2:81][CH2:82]2)[c:60]2[c:61]([n:62][cH:63]1)[n:64]([S:67](=[O:68])(=[O:69])[c:70]1[cH:71][cH:72][cH:73][cH:74][cH:75]1)[cH:65][cH:66]2.[O:87]=[CH:88][N:89]([CH3:90])[CH3:91].[P-:24]([F:25])([F:26])([F:27])([F:28])([F:29])[F:30].[n:31]1([O:32][C:33]([N:34]([CH3:35])[CH3:36])=[N+:37]([CH3:38])[CH3:39])[c:40]2[n:41][cH:42][cH:43][cH:44][c:45]2[n:46][n:47]1>>[C:1](=[O:2])([O:3][CH2:4][CH:5]1[c:6]2[cH:7][cH:8][cH:9][cH:10][c:11]2-[c:12]2[cH:13][cH:14][cH:15][cH:16][c:17]21)[NH:18][CH2:19][CH2:20][C:21](=[O:22])[NH:57][c:58]1[c:59]([NH:76][CH:77]2[CH2:78][CH2:79][N:80]([CH2:83][CH2:84][C:85]#[N:86])[CH2:81][CH2:82]2)[c:60]2[c:61]([n:62][cH:63]1)[n:64]([S:67](=[O:68])(=[O:69])[c:70]1[cH:71][cH:72][cH:73][cH:74][cH:75]1)[cH:65][cH:66]2

Participants

7

Reactant 6

HCID 6228DimethylformamideHCID 9886HexafluorophosphateHCID 81531DiisopropylethylamineHCID 2724630N-Fluorenylmethoxycarbonyl-I2-alanineHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 673456183-[4-(5-amino-1-benzenesulfonyl-1H-pyrrolo[2,3-b]pyridin-4-ylamino)-piperidin-1-yl]-propionitrile

Product 1

HCID 67345405(2-{1-benzenesulfonyl-4-[1-(2-cyano-ethyl)-piperidin-4-ylamino]-1H-pyrrolo[2,3-b]pyridin-5-ylcarbamoyl}-ethyl)-carbamic acid 9H-fluoren-9-ylmethyl ester

Sources & evidence

ORD record
ord-fb24337faa334b0faa7bac9aeb717535
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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