Ammonium → 2-({2-{[1-(N,N-dimethylglycyl)-5-(methyloxy)-2,3-dihydro-1H-indol-6-yl]amino}-7-[(4-methylphenyl)sulfonyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl}amino)-6-fluorobenzamide

HRID 2151151Notes

Reaction equation

HRID 2151151 reaction equation
[CH2:65]1[O:66][CH2:67][CH2:68][CH2:69]1.[CH3:32][N:33]([CH3:34])[CH2:35][C:36](=[O:37])[N:38]1[CH2:39][CH2:40][c:41]2[cH:42][c:43]([O:48][CH3:49])[c:44]([NH2:47])[cH:45][c:46]21.[CH3:70][OH:71].[Cl:1][c:2]1[n:3][c:4]([NH:21][c:22]2[c:23]([C:24](=[O:25])[NH2:26])[c:27]([F:31])[cH:28][cH:29][cH:30]2)[c:5]2[c:6]([n: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.[ClH:50].[NH4+:64].[O:51]1[CH2:52][CH2:53][O:54][CH2:55][CH2:56]1.[OH-:63].[OH:57][CH2:58][C:59]([F:60])([F:61])[F:62]>>[c:2]1([NH:47][c:44]2[c:43]([O:48][CH3:49])[cH:42][c:41]3[c:46]([cH:45]2)[N:38]([C:36]([CH2:35][N:33]([CH3:32])[CH3:34])=[O:37])[CH2:39][CH2:40]3)[n:3][c:4]([NH:21][c:22]2[c:23]([C:24](=[O:25])[NH2:26])[c:27]([F:31])[cH:28][cH:29][cH:30]2)[c:5]2[c:6]([n: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

10

Reactant 9

HCID 223AmmoniumHCID 313Hydrochloric AcidHCID 887MethanolHCID 961HydroxideHCID 64092,2,2-TrifluoroethanolHCID 8028TetrahydrofuranHCID 312751,4-DioxaneHCID 534147641-(6-Amino-5-methoxy-2,3-dihydro-1H-indol-1-yl)-2-(dimethylamino)ethan-1-oneHCID 866441882-({2-chloro-7-[(4-methylphenyl)sulfonyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl}amino)-6-fluorobenzamide

Product 1

HCID 594417202-({2-{[1-(N,N-dimethylglycyl)-5-(methyloxy)-2,3-dihydro-1H-indol-6-yl]amino}-7-[(4-methylphenyl)sulfonyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl}amino)-6-fluorobenzamide

Sources & evidence

ORD record
ord-7d7e17b8fa314b03b02a013c3155886d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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