Carbonate Ion → 6({2-[4-(Hydroxymethyl)-1,3-thiazol-2-yl]thieno[3,2-b]pyridin-7-yl}oxy)-2-methylbenzo[b]thiophene-3-carboxylic acid (cyclopropylmethyl)amide

HRID 2324360Notes

Reaction equation

HRID 2324360 reaction equation
[C:36](=[O:37])([O-:38])[O-:39].[CH:18]1([CH2:21][NH:22][C:23](=[O:24])[c:25]2[c:26]3[c:27]([s:28][c:29]2[CH3:30])[cH:31][c:32]([OH:35])[cH:33][cH:34]3)[CH2:19][CH2:20]1.[Cl:1][c:2]1[c:3]2[c:4]([n:5][cH:6][cH:7]1)[cH:8][c:9](-[c:11]1[s:12][cH:13][c:14]([CH2:16][OH:17])[n:15]1)[s:10]2.[Cs+:40].[Cs+:41]>>[c:2]1([O:35][c:32]2[cH:31][c:27]3[c:26]([c:25]([C:23]([NH:22][CH2:21][CH:18]4[CH2:19][CH2:20]4)=[O:24])[c:29]([CH3:30])[s:28]3)[cH:34][cH:33]2)[c:3]2[c:4]([n:5][cH:6][cH:7]1)[cH:8][c:9](-[c:11]1[s:12][cH:13][c:14]([CH2:16][OH:17])[n:15]1)[s:10]2

Participants

5

Reactant 4

HCID 19660Carbonate IonHCID 104967Cesium cation2×HCID 207679226-Hydroxy-2-methylbenzo[b]thiophene-3-carboxylic acid (cyclopropylmethyl)amideHCID 22143517[2-(7-Chloro-thieno[3,2-b]pyridin-2-yl)-thiazol-4-yl]-methanol

Product 1

HCID 207679216({2-[4-(Hydroxymethyl)-1,3-thiazol-2-yl]thieno[3,2-b]pyridin-7-yl}oxy)-2-methylbenzo[b]thiophene-3-carboxylic acid (cyclopropylmethyl)amide

Sources & evidence

ORD record
ord-5510b91548d24bc08c82f0a66b302f80
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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