Sodium ion → HCID 19756360, compound

HRID 174587Notes

Reaction equation

HRID 174587 reaction equation
[Al+3:60].[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[CH:6]([CH3:7])[O:8][c:9]1[n:10][c:11]2[c:12]([O:21][CH2:22][c:23]3[cH:24][cH:25][c:26](-[c:29]4[c:30](-[c:35]5[n:36][n:37][n:38]([C:40]([c:41]6[cH:42][cH:43][cH:44][cH:45][cH:46]6)([c:47]6[cH:48][cH:49][cH:50][cH:51][cH:52]6)[c:53]6[cH:54][cH:55][cH:56][cH:57][cH:58]6)[n:39]5)[cH:31][cH:32][cH:33][cH:34]4)[cH:27][cH:28]3)[cH:13][c:14]([CH2:19][CH3:20])[n:15][c:16]2[cH:17][cH:18]1.[CH2:68]1[O:69][CH2:70][CH2:71][CH2:72]1.[H-:59].[H-:62].[H-:63].[H-:64].[Li+:61].[Na+:67].[OH-:66].[OH2:65]>>[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[CH2:6][O:8][c:9]1[n:10][c:11]2[c:12]([O:21][CH2:22][c:23]3[cH:24][cH:25][c:26](-[c:29]4[c:30](-[c:35]5[n:36][n:37][n:38]([C:40]([c:41]6[cH:42][cH:43][cH:44][cH:45][cH:46]6)([c:47]6[cH:48][cH:49][cH:50][cH:51][cH:52]6)[c:53]6[cH:54][cH:55][cH:56][cH:57][cH:58]6)[n:39]5)[cH:31][cH:32][cH:33][cH:34]4)[cH:27][cH:28]3)[cH:13][c:14]([CH2:19][CH3:20])[n:15][c:16]2[cH:17][cH:18]1

Participants

9

Sources & evidence

ORD record
ord-ef298161cb4047629e329f9116c169fe
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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