Bicarbonate Ion → N-{3-chloro-4-[(3-fluorobenzyl)oxy]phenyl}-6-(2-furyl)-5H-pyrrolo[3,2-d]pyrimidin-4-amine

HRID 175866Notes

Reaction equation

HRID 175866 reaction equation
[C:40](=[O:41])([O-:42])[OH:43].[CH3:33][N:34]1[CH2:35][CH2:36][CH2:37][C:38]1=[O:39].[Cl:16][c:17]1[cH:18][c:19]([NH2:20])[cH:21][cH:22][c:23]1[O:24][CH2:25][c:26]1[cH:27][c:28]([F:32])[cH:29][cH:30][cH:31]1.[Cl:1][c:2]1[c:3]2[c:4]([n:5][cH:6][n:7]1)[cH:8][c:9](-[c:11]1[o:12][cH:13][cH:14][cH:15]1)[nH:10]2.[Na+:44].[OH2:45]>>[c:2]1([NH:20][c:19]2[cH:18][c:17]([Cl:16])[c:23]([O:24][CH2:25][c:26]3[cH:27][c:28]([F:32])[cH:29][cH:30][cH:31]3)[cH:22][cH:21]2)[c:3]2[c:4]([n:5][cH:6][n:7]1)[cH:8][c:9](-[c:11]1[o:12][cH:13][cH:14][cH:15]1)[nH:10]2

Participants

7

Reactant 6

HCID 769Bicarbonate IonHCID 923Sodium ionHCID 962WaterHCID 13387N-methyl-2-pyrrolidoneHCID 70592633-Chloro-4-(3-fluorobenzyloxy)anilineHCID 713033474-chloro-6-(furan-2-yl)-5H-pyrrolo[3,2-d]pyrimidine

Product 1

HCID 57597193N-{3-chloro-4-[(3-fluorobenzyl)oxy]phenyl}-6-(2-furyl)-5H-pyrrolo[3,2-d]pyrimidin-4-amine

Sources & evidence

ORD record
ord-6ebc2dfc5c254bbdb5311a8865833185
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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