Hydrochloric Acid → HCID 178509873, compound

HRID 171702Notes

Reaction equation

HRID 171702 reaction equation
[C:1]([O:2][C:6](=[O:7])[N:8]1[CH:9]([CH2:13][O:14][c:15]2[cH:16][c:17]([C:21]#[N:22])[cH:18][cH:19][cH:20]2)[CH2:10][CH2:11][CH2:12]1)([CH3:3])([CH3:4])[CH3:5].[C:24](#[N:25])[c:26]1[cH:27][cH:28][c:29]([C:30]([OH:31])=[O:32])[cH:33][cH:34]1.[CH3:35][N:36]1[CH2:37][CH2:38][O:39][CH2:40][CH2:41]1.[CH3:54][N:55]([CH3:56])[CH:57]=[O:58].[CH3:59][CH2:60][O:61][C:62](=[O:63])[CH3:64].[Cl:42][C:43]([O:44][CH2:45][CH3:46])=[O:47].[ClH:23].[O:48]1[CH2:49][CH2:50][O:51][CH2:52][CH2:53]1>>[C:6](=[O:7])([N:8]1[CH:9]([CH2:13][O:14][c:15]2[cH:16][c:17]([C:21]#[N:22])[cH:18][cH:19][cH:20]2)[CH2:10][CH2:11][CH2:12]1)[c:29]1[cH:28][cH:27][c:26]([C:24]#[N:25])[cH:34][cH:33]1

Participants

9

Reactant 8

HCID 313Hydrochloric AcidHCID 6228DimethylformamideHCID 79724-MethylmorpholineHCID 8857Ethyl AcetateHCID 10928Ethyl chloroformateHCID 120874-Cyanobenzoic acidHCID 312751,4-DioxaneHCID 19002682HCID 19002682, compound

Product 1

HCID 178509873HCID 178509873, compound

Sources & evidence

ORD record
ord-642e05faa4d44e3dab05e30573e4f273
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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