Ammonium → HCID 178513575, compound

HRID 184590Notes

Reaction equation

HRID 184590 reaction equation
[C:60]([c:61]1[nH:62][cH:63][cH:64][n:65]1)([c:66]1[nH:67][cH:68][cH:69][n:70]1)=[O:71].[C:72](=[O:73])([OH:74])[O-:75].[Cl-:77].[Cl:30][c:31]1[cH:32][cH:33][c:34]([C:35]2([c:36]3[cH:37][cH:38][c:39](-[c:40]4[nH:41][c:42]5[cH:43][cH:44][c:45]([C:46]([OH:47])=[O:48])[cH:49][c:50]5[n:51]4)[cH:52][cH:53]3)[O:54][CH2:55][CH2:56][O:57]2)[cH:58][cH:59]1.[NH4+:76].[NH4+:78].[O:79]=[CH:80][N:81]([CH3:82])[CH3:83].[c:1]1([C:7]2([c:12]3[cH:13][cH:14][c:15](-[c:18]4[n:19][c:20]5[c:21]([nH:22]4)[cH:23][cH:24][c:25]([C:27](=[O:28])[NH2:29])[cH:26]5)[cH:16][cH:17]3)[O:8][CH2:9][CH2:10][O:11]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1>>[c:1]1([C:7]2([c:12]3[cH:13][cH:14][c:15](-[c:18]4[n:19][c:20]5[c:21]([nH:22]4)[cH:23][cH:24][c:25]([C:27](=[O:28])[NH2:29])[cH:26]5)[cH:16][cH:17]3)[O:8][CH2:9][CH2:10][O:11]2)[cH:2][cH:3][c:4]([Cl:30])[cH:5][cH:6]1

Participants

8

Reactant 7

HCID 223Ammonium2×HCID 312ChlorideHCID 769Bicarbonate IonHCID 6228DimethylformamideHCID 5250894Bis-(1H-imidazol-2-YL)-methanoneHCID 178513574HCID 178513574, compoundHCID 178524154HCID 178524154, compound

Product 1

HCID 178513575HCID 178513575, compound

Sources & evidence

ORD record
ord-1b08a9dff198450dbe346af314588a53
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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