Hydrochloric Acid → HCID 77561089, compound

HRID 1139177Notes

Reaction equation

HRID 1139177 reaction equation
[CH3:54][OH:55].[ClH:42].[ClH:43].[NH2:44][c:45]1[cH:46][c:47]([C:48](=[NH:49])[NH2:50])[cH:51][cH:52][cH:53]1.[Na+:41].[O:56]1[CH2:57][CH2:58][CH2:59][CH2:60]1.[OH-:40].[c:1]1([S:7](=[O:8])(=[O:9])[NH:10][CH:11]([C:12]([O:14][CH3:13])=[O:15])[CH2:16][c:17]2[cH:18][cH:19][c:20]([O:23][CH:24]3[CH2:25][CH2:26][N:27]([C:30](=[O:31])[O:32][CH2:33][c:34]4[cH:35][cH:36][cH:37][cH:38][cH:39]4)[CH2:28][CH2:29]3)[cH:21][cH:22]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1.[cH:61]1[cH:62][cH:63][n:64][cH:65][cH:66]1>>[c:1]1([S:7](=[O:8])(=[O:9])[NH:10][CH:11]([C:12](=[O:14])[NH:44][c:45]2[cH:46][c:47]([C:48](=[NH:49])[NH2:50])[cH:51][cH:52][cH:53]2)[CH2:16][c:17]2[cH:18][cH:19][c:20]([O:23][CH:24]3[CH2:25][CH2:26][N:27]([C:30](=[O:31])[O:32][CH2:33][c:34]4[cH:35][cH:36][cH:37][cH:38][cH:39]4)[CH2:28][CH2:29]3)[cH:21][cH:22]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1

Participants

9

Reactant 8

HCID 313Hydrochloric Acid2×HCID 887MethanolHCID 923Sodium ionHCID 961HydroxideHCID 1049PyridineHCID 8028TetrahydrofuranHCID 197790m-AminobenzamidineHCID 178499944HCID 178499944, compound

Product 1

HCID 77561089HCID 77561089, compound

Sources & evidence

ORD record
ord-810ca44458394f4d84d72e9889c55d59
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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