Hydrochloric Acid → HCID 16722644, compound

HRID 156980Notes

Reaction equation

HRID 156980 reaction equation
[CH3:10][N:11]([CH3:12])[CH2:13][CH2:14][CH2:15][N:16]=[C:17]=[N:18][CH2:19][CH3:20].[CH3:21][O:22][c:23]1[cH:24][c:25]([NH2:46])[cH:26][cH:27][c:28]1-[c:29]1[o:30][c:31](-[c:34]2[c:35](-[c:40]3[cH:41][cH:42][cH:43][cH:44][cH:45]3)[n:36][o:37][c:38]2[CH3:39])[n:32][n:33]1.[Cl:47][CH2:48][Cl:49].[ClH:9].[s:1]1[cH:2][c:3]([C:6](=[O:7])[OH:8])[cH:4][cH:5]1>>[s:1]1[cH:2][c:3]([C:6](=[O:8])[NH:46][c:25]2[cH:24][c:23]([O:22][CH3:21])[c:28](-[c:29]3[o:30][c:31](-[c:34]4[c:35](-[c:40]5[cH:41][cH:42][cH:43][cH:44][cH:45]5)[n:36][o:37][c:38]4[CH3:39])[n:32][n:33]3)[cH:27][cH:26]2)[cH:4][cH:5]1

Participants

6

Reactant 5

HCID 313Hydrochloric AcidHCID 6344DichloromethaneHCID 6918Thiophene-3-carboxylic acidHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 167225873-Methoxy-4-[5-(5-methyl-3-phenyl-isoxazol-4-yl)-[1,3,4]oxadiazol-2-yl]-phenylamine

Product 1

HCID 16722644HCID 16722644, compound

Sources & evidence

ORD record
ord-b590f9370ac34113b043fb66c0cf4246
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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