Bicarbonate Ion → ethyl 5-[(4-{[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]amino}-5H-pyrrolo[3,2-d]pyrimidin-5-yl)methyl]-2-furoate

HRID 2149583Notes

Reaction equation

HRID 2149583 reaction equation
[C:45](=[O:46])([O-:47])[OH:48].[CH3:38][N:39]1[CH2:40][CH2:41][CH2:42][C:43]1=[O:44].[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]([C:17](=[O:18])[O:19][CH2:20][CH3:21])[o:16]1.[Cl:22][c:23]1[cH:24][c:25]([NH2:26])[cH:27][cH:28][c:29]1[O:30][CH2:31][c:32]1[n:33][cH:34][cH:35][cH:36][cH:37]1.[Na+:49]>>[c:2]1([NH:26][c:25]2[cH:24][c:23]([Cl:22])[c:29]([O:30][CH2:31][c:32]3[n:33][cH:34][cH:35][cH:36][cH:37]3)[cH:28][cH:27]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]([C:17](=[O:18])[O:19][CH2:20][CH3:21])[o:16]1

Participants

6

Reactant 5

HCID 769Bicarbonate IonHCID 923Sodium ionHCID 13387N-methyl-2-pyrrolidoneHCID 167812123-Chloro-4-(2-pyridylmethoxy)anilineHCID 86615753ethyl 5-[(4-chloro-5H-pyrrolo[3,2-d]pyrimidin-5-yl)methyl]-2-furoate

Product 1

HCID 57597254ethyl 5-[(4-{[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]amino}-5H-pyrrolo[3,2-d]pyrimidin-5-yl)methyl]-2-furoate

Sources & evidence

ORD record
ord-bc32013988ce46509b0095aa52ad10ef
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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