Hydrochloric Acid → 3-(1-cyanocyclopropyl)-N-{4-methoxy-3-[(2-{[(4-methylpiperazin-1-yl)acetyl]amino}[1,3]thiazolo[5,4-b]pyridin-5-yl)oxy]phenyl}benzamide

HRID 1209445Notes

Reaction equation

HRID 1209445 reaction equation
[CH2:48]([N:49]=[C:50]=[N:51][CH2:52][CH2:53][CH2:54][N:55]([CH3:56])[CH3:57])[CH3:58].[CH3:36][N:37]1[CH2:38][CH2:39][N:40]([CH2:43][C:44](=[O:45])[OH:46])[CH2:41][CH2:42]1.[CH3:59][OH:60].[CH3:67][N:68]([CH3:69])[c:70]1[cH:71][cH:72][n:73][cH:74][cH:75]1.[ClH:34].[ClH:35].[ClH:47].[NH2:1][c:2]1[s:3][c:4]2[n:5][c:6]([O:11][c:12]3[cH:13][c:14]([NH:20][C:21]([c:22]4[cH:23][c:24]([C:28]5([C:31]#[N:32])[CH2:29][CH2:30]5)[cH:25][cH:26][cH:27]4)=[O:33])[cH:15][cH:16][c:17]3[O:18][CH3:19])[cH:7][cH:8][c:9]2[n:10]1.[cH:61]1[cH:62][cH:63][n:64][cH:65][cH:66]1>>[NH:1]([c:2]1[s:3][c:4]2[n:5][c:6]([O:11][c:12]3[cH:13][c:14]([NH:20][C:21]([c:22]4[cH:23][c:24]([C:28]5([C:31]#[N:32])[CH2:29][CH2:30]5)[cH:25][cH:26][cH:27]4)=[O:33])[cH:15][cH:16][c:17]3[O:18][CH3:19])[cH:7][cH:8][c:9]2[n:10]1)[C:44]([CH2:43][N:40]1[CH2:39][CH2:38][N:37]([CH3:36])[CH2:42][CH2:41]1)=[O:45]

Participants

8

Reactant 7

HCID 313Hydrochloric Acid3×HCID 887MethanolHCID 1049PyridineHCID 142844-(Dimethylamino)pyridineHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 2762732(4-Methylpiperazin-1-yl)acetic acidHCID 86645989N-{3-[(2-amino[1,3]thiazolo[5,4-b]pyridin-5-yl)oxy]-4-methoxyphenyl}-3-(1-cyanocyclopropyl)benzamide

Product 1

HCID 595069143-(1-cyanocyclopropyl)-N-{4-methoxy-3-[(2-{[(4-methylpiperazin-1-yl)acetyl]amino}[1,3]thiazolo[5,4-b]pyridin-5-yl)oxy]phenyl}benzamide

Sources & evidence

ORD record
ord-dde7f84021a5445caf3a00d43b69fd0c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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