Hydrochloric Acid → HCID 18450217, compound

HRID 1125400Notes

Reaction equation

HRID 1125400 reaction equation
[CH3:46][CH2:47][N:48]([CH2:49][CH3:50])[CH2:51][CH3:52].[CH3:72][CH2:73][O:74][C:75]([CH3:76])=[O:77].[Cl:1][c:2]1[cH:3][cH:4][c:5]([O:6][c:7]2[cH:8][cH:9][c:10]([NH:13][C:14]([NH:15][CH:16]([C:17](=[O:18])[NH:19][CH2:20][CH2:21][N:22]([CH:23]([CH3:24])[CH3:25])[CH:26]([CH3:27])[CH3:28])[CH2:29][c:30]3[cH:31][cH:32][cH:33][cH:34][cH:35]3)=[O:36])[cH:11][cH:12]2)[cH:37][cH:38]1.[Cl:69][CH2:70][Cl:71].[ClH:39].[O:40]1[CH2:41][CH2:42][O:43][CH2:44][CH2:45]1.[O:53]([c:54]1[cH:55][cH:56][c:57]([N:58]=[C:59]=[O:60])[cH:61][cH:62]1)[c:63]1[cH:64][cH:65][cH:66][cH:67][cH:68]1>>[cH:2]1[cH:3][cH:4][c:5]([O:6][c:7]2[cH:8][cH:9][c:10]([NH:13][C:14]([NH:15][CH:16]([C:17](=[O:18])[NH:19][CH2:20][CH2:21][N:22]([CH:23]([CH3:24])[CH3:25])[CH:26]([CH3:27])[CH3:28])[CH2:29][c:30]3[cH:31][cH:32][cH:33][cH:34][cH:35]3)=[O:36])[cH:11][cH:12]2)[cH:37][cH:38]1

Participants

8

Reactant 7

HCID 313Hydrochloric AcidHCID 6344DichloromethaneHCID 8471TriethylamineHCID 8857Ethyl AcetateHCID 312751,4-DioxaneHCID 27348964-Phenoxyphenyl isocyanateHCID 18450169HCID 18450169, compound

Product 1

HCID 18450217HCID 18450217, compound

Sources & evidence

ORD record
ord-b34b6ddf673642b1aa9a9daf86b5d147
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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