Hydrochloric Acid → HCID 91132142, compound

HRID 1218121Notes

Reaction equation

HRID 1218121 reaction equation
[C:39](=[O:40])([O-:41])[OH:42].[CH3:32][CH2:33][N:34]([CH2:35][CH3:36])[CH2:37][CH3:38].[Cl:1][C:2](=[O:3])[c:4]1[cH:5][cH:6][c:7]([Cl:8])[cH:9][cH:10]1.[ClH:11].[ClH:12].[NH:13]1[CH2:14][CH2:15][CH:16]([NH:19][c:20]2[s:21][cH:22][c:23]([CH:25]=[CH:26][C:27](=[O:28])[O:29][CH2:30][CH3:31])[n:24]2)[CH2:17][CH2:18]1.[Na+:43].[O:44]=[CH:45][N:46]([CH3:47])[CH3:48]>>[C:2](=[O:3])([c:4]1[cH:5][cH:6][c:7]([Cl:8])[cH:9][cH:10]1)[N:13]1[CH2:14][CH2:15][CH:16]([NH:19][c:20]2[s:21][cH:22][c:23]([CH:25]=[CH:26][C:27](=[O:28])[O:29][CH2:30][CH3:31])[n:24]2)[CH2:17][CH2:18]1

Participants

8

Reactant 7

HCID 313Hydrochloric Acid2×HCID 769Bicarbonate IonHCID 923Sodium ionHCID 6228DimethylformamideHCID 8471TriethylamineHCID 85014-Chlorobenzoyl chlorideHCID 90843970HCID 90843970, compound

Product 1

HCID 91132142HCID 91132142, compound

Sources & evidence

ORD record
ord-c6cf9edd1c19425bad01170563a6c97c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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