Hydrochloric Acid → HCID 178465272, compound

HRID 299533Notes

Reaction equation

HRID 299533 reaction equation
[CH2:42]([CH3:43])[N:44]=[C:45]=[O:46].[CH3:35][CH2:36][N:37]([CH2:38][CH3:39])[CH2:40][CH3:41].[CH3:48][C:49]#[N:50].[Cl:2][c:3]1[cH:4][cH:5][c:6]([C:7](=[O:8])[N:9]([CH3:10])[CH:11]2[CH:12]([c:25]3[cH:26][c:27]([Cl:32])[c:28]([Cl:31])[cH:29][cH:30]3)[CH2:13][N:14]([C:17](=[O:18])[CH:19]3[CH2:20][CH2:21][NH:22][CH2:23][CH2:24]3)[CH2:15][CH2:16]2)[cH:33][cH:34]1.[ClH:1].[OH2:47]>>[Cl:2][c:3]1[cH:4][cH:5][c:6]([C:7](=[O:8])[N:9]([CH3:10])[CH:11]2[CH:12]([c:25]3[cH:26][c:27]([Cl:32])[c:28]([Cl:31])[cH:29][cH:30]3)[CH2:13][N:14]([C:17](=[O:18])[CH:19]3[CH2:20][CH2:21][N:22]([C:45]([NH:44][CH2:42][CH3:43])=[O:46])[CH2:23][CH2:24]3)[CH2:15][CH2:16]2)[cH:33][cH:34]1

Participants

7

Reactant 6

HCID 313Hydrochloric AcidHCID 962WaterHCID 6342AcetonitrileHCID 8022Ethyl isocyanateHCID 8471TriethylamineHCID 178485379HCID 178485379, compound

Product 1

HCID 178465272HCID 178465272, compound

Sources & evidence

ORD record
ord-0eb15faf8ef9492a982e4c85568a0b06
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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