Carbonic Acid → HCID 72303445, compound

HRID 301315Notes

Reaction equation

HRID 301315 reaction equation
[C:45]([n:46]1[cH:47][cH:48][n:49][cH:50]1)([n:51]1[cH:52][cH:53][n:54][cH:55]1)=[O:56].[C:57](=[O:58])([OH:59])[OH:60].[Cl:1][c:2]1[c:3]([CH:9]2[N:10]([CH:34]3[CH:35]([NH:40][S:41](=[O:42])(=[O:43])[CH3:44])[CH2:36][CH2:37][CH2:38][CH2:39]3)[C:11](=[O:33])[c:12]3[cH:13][cH:14][cH:15][cH:16][c:17]3[CH:18]2[C:19](=[O:20])[NH:21][O:22][CH2:23][c:24]2[cH:25][c:26]([C:27](=[O:28])[OH:29])[cH:30][cH:31][cH:32]2)[cH:4][cH:5][c:6]([Cl:8])[cH:7]1.[NH2:61][C:62](=[NH:63])[NH2:64].[O:65]=[CH:66][N:67]([CH3:68])[CH3:69]>>[Cl:1][c:2]1[c:3]([CH:9]2[N:10]([CH:34]3[CH:35]([NH:40][S:41](=[O:42])(=[O:43])[CH3:44])[CH2:36][CH2:37][CH2:38][CH2:39]3)[C:11](=[O:33])[c:12]3[cH:13][cH:14][cH:15][cH:16][c:17]3[CH:18]2[C:19](=[O:20])[NH:21][O:22][CH2:23][c:24]2[cH:25][c:26]([C:27](=[O:28])[N:61]=[C:62]([NH2:63])[NH2:64])[cH:30][cH:31][cH:32]2)[cH:4][cH:5][c:6]([Cl:8])[cH:7]1

Participants

6

Reactant 5

HCID 767Carbonic AcidHCID 3520GuanidineHCID 6228DimethylformamideHCID 682631,1'-CarbonyldiimidazoleHCID 72303363HCID 72303363, compound

Product 1

HCID 72303445HCID 72303445, compound

Sources & evidence

ORD record
ord-e96b25836b4142fba5c690446bb7a36f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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