Bicarbonate Ion → Tert-butyl 4-(benzo[1,3]dioxol-5-yl)-2-(2,3-dimethylbenzamido)benzoate

HRID 154445

Reaction equation

HRID 154445 reaction equation
[C:41](=[O:42])([O-:43])[OH:44].[CH2:53]([Cl:54])[Cl:55].[CH3:46][CH2:47][N:48]([CH2:49][CH3:50])[CH2:51][CH3:52].[CH3:56][N:57]([CH3:58])[CH:59]=[O:60].[CH3:7][c:8]1[c:9]([C:10](=[O:11])[OH:12])[cH:13][cH:14][cH:15][c:16]1[CH3:17].[Cl:1][C:2]([C:3]([Cl:4])=[O:5])=[O:6].[NH2:18][c:19]1[c:20]([C:21](=[O:22])[O:23][C:24]([CH3:25])([CH3:26])[CH3:27])[cH:28][cH:29][c:30](-[c:32]2[cH:33][c:34]3[c:35]([cH:39][cH:40]2)[O:36][CH2:37][O:38]3)[cH:31]1.[Na+:45]>>[CH3:7][c:8]1[c:9]([C:10](=[O:12])[NH:18][c:19]2[c:20]([C:21](=[O:22])[O:23][C:24]([CH3:25])([CH3:26])[CH3:27])[cH:28][cH:29][c:30](-[c:32]3[cH:33][c:34]4[c:35]([cH:39][cH:40]3)[O:36][CH2:37][O:38]4)[cH:31]2)[cH:13][cH:14][cH:15][c:16]1[CH3:17]

Participants

9

Reactant 8

HCID 769Bicarbonate IonHCID 923Sodium ionHCID 6228DimethylformamideHCID 6344DichloromethaneHCID 8471TriethylamineHCID 117822,3-Dimethylbenzoic acidHCID 65578Oxalyl chlorideHCID 67342168Tert-butyl 2-amino-4-(benzo[1,3]dioxol-5-yl)benzoate

Product 1

HCID 67342913Tert-butyl 4-(benzo[1,3]dioxol-5-yl)-2-(2,3-dimethylbenzamido)benzoate

Sources & evidence

ORD record
ord-78e08c97220b43c48cca3a2d7d924a72
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Linked notes

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