Water → HCID 178471843, compound

HRID 2327394Notes

Reaction equation

HRID 2327394 reaction equation
[Br:38][CH2:39][CH2:40][C:41](=[O:42])[O:43][CH2:44][CH3:45].[C:46](=[O:47])([O-:48])[O-:49].[CH3:52][N:53]([CH3:54])[C:55](=[O:56])[CH3:57].[Cs+:50].[Cs+:51].[OH2:58].[nH:1]1[c:2]([C:10](=[O:11])[N:12]([CH:13]2[CH2:14][N:15]([C:27](=[O:28])[O:29][C:30]([CH3:31])([CH3:32])[CH3:33])[CH2:16][CH:17]([C:19](=[O:20])[N:21]3[CH2:22][CH2:23][O:24][CH2:25][CH2:26]3)[CH2:18]2)[CH2:34][CH:35]([CH3:36])[CH3:37])[n:3][c:4]2[c:5]1[cH:6][cH:7][cH:8][cH:9]2>>[n:1]1([CH2:39][CH2:40][C:41](=[O:42])[O:43][CH2:44][CH3:45])[c:2]([C:10](=[O:11])[N:12]([CH:13]2[CH2:14][N:15]([C:27](=[O:28])[O:29][C:30]([CH3:31])([CH3:32])[CH3:33])[CH2:16][CH:17]([C:19](=[O:20])[N:21]3[CH2:22][CH2:23][O:24][CH2:25][CH2:26]3)[CH2:18]2)[CH2:34][CH:35]([CH3:36])[CH3:37])[n:3][c:4]2[c:5]1[cH:6][cH:7][cH:8][cH:9]2

Participants

7

Reactant 6

HCID 962WaterHCID 19660Carbonate IonHCID 31374DimethylacetamideHCID 68320Ethyl 3-bromopropionateHCID 104967Cesium cation2×HCID 76731685tert-butyl 3-[1H-benzimidazole-2-carbonyl(2-methylpropyl)amino]-5-(morpholine-4-carbonyl)piperidine-1-carboxylate

Product 1

HCID 178471843HCID 178471843, compound

Sources & evidence

ORD record
ord-540992ceedf44192a77c983244ae7d9c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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