Bicarbonate Ion → HCID 67345378, compound

HRID 1236897Notes

Reaction equation

HRID 1236897 reaction equation
[C:43](=[O:44])([O-:45])[OH:46].[CH2:55]([Cl:56])[Cl:57].[CH3:48][CH2:49][N:50]([CH2:51][CH3:52])[CH2:53][CH3:54].[CH3:58][N:59]([CH3:60])[CH:61]=[O:62].[Cl:1][C:2]([C:3]([Cl:4])=[O:5])=[O:6].[NH2:21][c:22]1[c:23]([C:24](=[O:25])[O:26][C:27]([CH3:28])([CH3:29])[CH3:30])[cH:31][cH:32][c:33]([CH2:35][CH2:36][c:37]2[cH:38][cH:39][cH:40][cH:41][cH:42]2)[cH:34]1.[Na+:47].[c:7]1(-[c:13]2[n:14][nH:15][c:16]([C:18](=[O:19])[OH:20])[cH:17]2)[cH:8][cH:9][cH:10][cH:11][cH:12]1>>[c:7]1(-[c:13]2[n:14][nH:15][c:16]([C:18](=[O:20])[NH:21][c:22]3[c:23]([C:24](=[O:25])[O:26][C:27]([CH3:28])([CH3:29])[CH3:30])[cH:31][cH:32][c:33]([CH2:35][CH2:36][c:37]4[cH:38][cH:39][cH:40][cH:41][cH:42]4)[cH:34]3)[cH:17]2)[cH:8][cH:9][cH:10][cH:11][cH:12]1

Participants

9

Reactant 8

HCID 769Bicarbonate IonHCID 923Sodium ionHCID 6228DimethylformamideHCID 6344DichloromethaneHCID 8471TriethylamineHCID 65578Oxalyl chlorideHCID 121025Pyrazole-5-carboxylic acid, 3-phenyl-HCID 58508624Tert-butyl 2-amino-4-phenethylbenzoate

Product 1

HCID 67345378HCID 67345378, compound

Sources & evidence

ORD record
ord-2c7ac1a58e7b436486f4e65423fbf31d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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