Ethyl Acetate → (4-{[4-({3-chloro-4-[(3-fluorobenzyl)oxy]phenyl}amino)-5H-pyrrolo[3,2-d]pyrimidin-5-yl]methyl}phenyl)methanol

HRID 97727

Reaction equation

HRID 97727 reaction equation
[CH3:37][N:38]1[CH2:39][CH2:40][CH2:41][C:42]1=[O:43].[CH3:44][CH2:45][O:46][C:47](=[O:48])[CH3:49].[Cl:1][c:2]1[c:3]2[c:4]([n:5][cH:6][n:7]1)[cH:8][cH:9][n:10]2[CH2:11][c:12]1[cH:13][cH:14][c:15]([CH2:18][OH:19])[cH:16][cH:17]1.[Cl:20][c:21]1[cH:22][c:23]([NH2:24])[cH:25][cH:26][c:27]1[O:28][CH2:29][c:30]1[cH:31][c:32]([F:36])[cH:33][cH:34][cH:35]1>>[c:2]1([NH:24][c:23]2[cH:22][c:21]([Cl:20])[c:27]([O:28][CH2:29][c:30]3[cH:31][c:32]([F:36])[cH:33][cH:34][cH:35]3)[cH:26][cH:25]2)[c:3]2[c:4]([n:5][cH:6][n:7]1)[cH:8][cH:9][n:10]2[CH2:11][c:12]1[cH:13][cH:14][c:15]([CH2:18][OH:19])[cH:16][cH:17]1

Participants

5

Reactant 4

HCID 8857Ethyl AcetateHCID 13387N-methyl-2-pyrrolidoneHCID 70592633-Chloro-4-(3-fluorobenzyloxy)anilineHCID 86084732{4-[(4-chloro-5H-pyrrolo[3,2-d]pyrimidin-5-yl)methyl]phenyl}methanol

Product 1

HCID 57597376(4-{[4-({3-chloro-4-[(3-fluorobenzyl)oxy]phenyl}amino)-5H-pyrrolo[3,2-d]pyrimidin-5-yl]methyl}phenyl)methanol

Sources & evidence

ORD record
ord-b3d69e3d57ba47d38b4433f58fe17fee
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Linked notes

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