Hydroxide → N-{3-[3-(2-{[3-(Aminomethyl)phenyl]amino}-4-pyrimidinyl)pyrazolo[1,5-a]pyridin-2-yl]phenyl}-2-(2-thienyl)acetamide

HRID 160417Notes

Reaction equation

HRID 160417 reaction equation
[CH2:49]1[O:50][CH2:51][CH2:52][CH2:53]1.[Cl:55][CH2:56][Cl:57].[F:1][C:2]([F:3])([F:4])[C:44]([NH:5][CH2:6][c:7]1[cH:8][c:9]([NH:13][c:14]2[n:15][cH:16][cH:17][c:18](-[c:20]3[c:21](-[c:29]4[cH:30][c:31]([NH:35][C:36]([CH2:37][c:38]5[s:39][cH:40][cH:41][cH:42]5)=[O:43])[cH:32][cH:33][cH:34]4)[n:22][n:23]4[c:24]3[cH:25][cH:26][cH:27][cH:28]4)[n:19]2)[cH:10][cH:11][cH:12]1)=[O:45].[Li+:47].[OH-:46].[OH2:48].[OH2:54]>>[NH2:5][CH2:6][c:7]1[cH:8][c:9]([NH:13][c:14]2[n:15][cH:16][cH:17][c:18](-[c:20]3[c:21](-[c:29]4[cH:30][c:31]([NH:35][C:36]([CH2:37][c:38]5[s:39][cH:40][cH:41][cH:42]5)=[O:43])[cH:32][cH:33][cH:34]4)[n:22][n:23]4[c:24]3[cH:25][cH:26][cH:27][cH:28]4)[n:19]2)[cH:10][cH:11][cH:12]1

Participants

7

Reactant 6

HCID 961HydroxideHCID 962Water2×HCID 6344DichloromethaneHCID 8028TetrahydrofuranHCID 28486Lithium ionHCID 577372032,2,2-Trifluoro-N-[(3-{[4-(2-{3-[(2-thienylacetyl)amino]phenyl}-pyrazolo[1,5-a]pyridin-3-yl)-2-pyrimidinyl]amino}phenyl)methyl]acetamide

Product 1

HCID 57737182N-{3-[3-(2-{[3-(Aminomethyl)phenyl]amino}-4-pyrimidinyl)pyrazolo[1,5-a]pyridin-2-yl]phenyl}-2-(2-thienyl)acetamide

Sources & evidence

ORD record
ord-89ae80f24a5746cdb5bfd1977466f48f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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