Hydrochloric Acid → 6-chloro-2-fluoro-N-(3-methoxy-1-(4-methoxybenzyl)-1H-pyrazolo[3,4-b]pyridin-5-yl)-3-(3-(4-methoxyphenoxy)propylsulfonamido)benzamide

HRID 194063Notes

Reaction equation

HRID 194063 reaction equation
[CH2:50]([N:51]=[C:52]=[N:53][CH2:54][CH2:55][CH2:56][N:57]([CH3:58])[CH3:59])[CH3:60].[CH2:72]([N:73]([CH:74]([CH3:75])[CH3:76])[CH:77]([CH3:78])[CH3:79])[CH3:80].[CH3:1][O:2][c:3]1[n:4][n:5]([CH2:13][c:14]2[cH:15][cH:16][c:17]([O:20][CH3:21])[cH:18][cH:19]2)[c:6]2[n:7][cH:8][c:9]([NH2:12])[cH:10][c:11]12.[Cl:22][c:23]1[cH:24][cH:25][c:26]([NH:33][S:34](=[O:35])(=[O:36])[CH2:37][CH2:38][CH2:39][O:40][c:41]2[cH:42][cH:43][c:44]([O:47][CH3:48])[cH:45][cH:46]2)[c:27]([F:32])[c:28]1[C:29](=[O:30])[OH:31].[Cl:81][CH2:82][Cl:83].[ClH:49].[OH2:61].[n:62]1([OH:63])[c:64]2[cH:65][cH:66][cH:67][cH:68][c:69]2[n:70][n:71]1>>[CH3:1][O:2][c:3]1[n:4][n:5]([CH2:13][c:14]2[cH:15][cH:16][c:17]([O:20][CH3:21])[cH:18][cH:19]2)[c:6]2[n:7][cH:8][c:9]([NH:12][C:29]([c:28]3[c:23]([Cl:22])[cH:24][cH:25][c:26]([NH:33][S:34](=[O:35])(=[O:36])[CH2:37][CH2:38][CH2:39][O:40][c:41]4[cH:42][cH:43][c:44]([O:47][CH3:48])[cH:45][cH:46]4)[c:27]3[F:32])=[O:30])[cH:10][c:11]12

Participants

9

Reactant 8

HCID 313Hydrochloric AcidHCID 962WaterHCID 6344DichloromethaneHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 757711-HydroxybenzotriazoleHCID 81531DiisopropylethylamineHCID 670888713-Methoxy-1-(4-methoxybenzyl)-1H-pyrazolo[3,4-b]pyridin-5-amineHCID 670890016-Chloro-2-fluoro-3-(3-(4-methoxyphenoxy)propylsulfonamido)benzoic acid

Product 1

HCID 670888896-chloro-2-fluoro-N-(3-methoxy-1-(4-methoxybenzyl)-1H-pyrazolo[3,4-b]pyridin-5-yl)-3-(3-(4-methoxyphenoxy)propylsulfonamido)benzamide

Sources & evidence

ORD record
ord-fba16ed5a89d4e8db83907501993b217
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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