Calcium Cation → HCID 69217712, compound

HRID 151716Notes

Reaction equation

HRID 151716 reaction equation
[CH2:1]([CH3:2])[c:3]1[s:4][cH:5][c:6]([CH:8]=[CH:9][c:10]2[c:11]([O:21][CH2:22][c:23]3[cH:24][c:25]([O:46][CH3:47])[c:26]([O:27][CH2:28][c:29]4[n:30][c:31](-[c:35]5[cH:36][c:37]([N+:41]([O-:42])=[O:43])[cH:38][cH:39][cH:40]5)[o:32][c:33]4[CH3:34])[cH:44][cH:45]3)[n:12][n:13](-[c:15]3[cH:16][cH:17][cH:18][cH:19][cH:20]3)[cH:14]2)[n:7]1.[CH3:52][CH2:53][OH:54].[Ca+2:50].[Cl-:48].[Cl-:49].[Fe:51]>>[CH2:1]([CH3:2])[c:3]1[s:4][cH:5][c:6]([CH:8]=[CH:9][c:10]2[c:11]([O:21][CH2:22][c:23]3[cH:24][c:25]([O:46][CH3:47])[c:26]([O:27][CH2:28][c:29]4[n:30][c:31](-[c:35]5[cH:36][c:37]([NH2:41])[cH:38][cH:39][cH:40]5)[o:32][c:33]4[CH3:34])[cH:44][cH:45]3)[n:12][n:13](-[c:15]3[cH:16][cH:17][cH:18][cH:19][cH:20]3)[cH:14]2)[n:7]1

Participants

6

Reactant 5

HCID 271Calcium CationHCID 312Chloride2×HCID 702EthanolHCID 23925IronHCID 69216432HCID 69216432, compound

Product 1

HCID 69217712HCID 69217712, compound

Sources & evidence

ORD record
ord-e02e843ebc7b466484bbd397de5db424
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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