Bicarbonate Ion → HCID 86592782, compound

HRID 1139454Notes

Reaction equation

HRID 1139454 reaction equation
[C:50](=[O:51])([OH:52])[O-:53].[CH2:55]([Cl:56])[Cl:57].[CH3:34][CH2:35][N:36]([CH2:37][CH3:38])[CH2:39][CH3:40].[CH:41]1([C:47](=[O:48])[Cl:49])[CH2:42][CH2:43][CH2:44][CH2:45][CH2:46]1.[N:1]1([CH2:6][CH2:7][O:8][c:9]2[cH:10][cH:11][c:12]([NH:15][CH2:16][c:17]3[cH:18][cH:19][c:20]([O:23][S:24](=[O:25])(=[O:26])[c:27]4[cH:28][cH:29][c:30]([CH3:33])[cH:31][cH:32]4)[cH:21][cH:22]3)[cH:13][cH:14]2)[CH2:2][CH2:3][CH2:4][CH2:5]1.[Na+:54]>>[N:1]1([CH2:6][CH2:7][O:8][c:9]2[cH:10][cH:11][c:12]([N:15]([CH2:16][c:17]3[cH:18][cH:19][c:20]([O:23][S:24](=[O:25])(=[O:26])[c:27]4[cH:28][cH:29][c:30]([CH3:33])[cH:31][cH:32]4)[cH:21][cH:22]3)[C:47]([CH:41]3[CH2:42][CH2:43][CH2:44][CH2:45][CH2:46]3)=[O:48])[cH:13][cH:14]2)[CH2:2][CH2:3][CH2:4][CH2:5]1

Participants

7

Reactant 6

HCID 769Bicarbonate IonHCID 923Sodium ionHCID 6344DichloromethaneHCID 8471TriethylamineHCID 75938Cyclohexanecarbonyl chlorideHCID 22137300Toluene-4-sulfonic acid 4-{[4-(2-pyrrolidin-1-yl-ethoxy)-phenylamino]-methyl}-phenyl ester

Product 1

HCID 86592782HCID 86592782, compound

Sources & evidence

ORD record
ord-0291762e51e444bda0f2efee781562d9
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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