Sodium ion → HCID 57893435, compound

HRID 317843Notes

Reaction equation

HRID 317843 reaction equation
[C:31]([c:32]1[cH:33][cH:34][cH:35][cH:36][cH:37]1)([c:38]1[cH:39][cH:40][cH:41][cH:42][cH:43]1)=[NH:44].[CH3:45][C:46]([CH3:47])([O-:48])[CH3:49].[CH3:51][c:52]1[cH:53][cH:54][cH:55][cH:56][cH:57]1.[Cl:1][c:2]1[cH:3][cH:4][c:5]([CH2:6][n:7]2[c:8](=[O:28])[nH:9][c:10]3[c:11]2[n:12][c:13](-[c:16]2[cH:17][c:18]([O:26][CH3:27])[c:19]([O:24][CH3:25])[c:20]([O:22][CH3:23])[cH:21]2)[cH:14][n:15]3)[cH:29][cH:30]1.[Na+:50].[OH2:58]>>[c:2]1([N:44]=[C:31]([c:32]2[cH:33][cH:34][cH:35][cH:36][cH:37]2)[c:38]2[cH:39][cH:40][cH:41][cH:42][cH:43]2)[cH:3][cH:4][c:5]([CH2:6][n:7]2[c:8](=[O:28])[nH:9][c:10]3[c:11]2[n:12][c:13](-[c:16]2[cH:17][c:18]([O:26][CH3:27])[c:19]([O:24][CH3:25])[c:20]([O:22][CH3:23])[cH:21]2)[cH:14][n:15]3)[cH:29][cH:30]1

Participants

7

Reactant 6

HCID 923Sodium ionHCID 962WaterHCID 1140TolueneHCID 136809Benzophenone imineHCID 45749132-Methylpropan-2-olateHCID 11553670HCID 11553670, compound

Product 1

HCID 57893435HCID 57893435, compound

Sources & evidence

ORD record
ord-d514277745c14de4bdac5a734eac06a1
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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