Bicarbonate Ion → HCID 57597182, compound

HRID 2328191Notes

Reaction equation

HRID 2328191 reaction equation
[C:46](=[O:47])([O-:48])[OH:49].[CH3:39][N:40]1[CH2:41][CH2:42][CH2:43][C:44]1=[O:45].[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][c:14]([C:15](=[O:16])[O:17][CH3:18])[cH:19][cH:20][cH:21]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[cH:33][c:34]([F:38])[cH:35][cH:36][cH:37]1.[Na+:50]>>[c:2]1([NH:26][c:25]2[cH:24][c:23]([Cl:22])[c:29]([O:30][CH2:31][c:32]3[cH:33][c:34]([F:38])[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][c:14]([C:15](=[O:16])[O:17][CH3:18])[cH:19][cH:20][cH:21]1

Participants

6

Reactant 5

HCID 769Bicarbonate IonHCID 923Sodium ionHCID 13387N-methyl-2-pyrrolidoneHCID 70592633-Chloro-4-(3-fluorobenzyloxy)anilineHCID 86615755Benzoic acid, 3-[(4-chloro-5H-pyrrolo[3,2-d]pyrimidin-5-yl)methyl]-, methyl ester

Product 1

HCID 57597182HCID 57597182, compound

Sources & evidence

ORD record
ord-efca679bbe4342c2888eafcd354e5b9d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

Loading…