Hydrochloric Acid → HCID 11374652, compound

HRID 291496Notes

Reaction equation

HRID 291496 reaction equation
[CH3:48][CH2:49][O:50][C:51](=[O:52])[CH3:53].[CH:39]([N:40]([CH2:41][CH3:42])[CH:43]([CH3:44])[CH3:45])([CH3:46])[CH3:47].[Cl:1][CH2:2][CH2:3][O:4][c:5]1[cH:6][c:7]2[c:8](=[O:28])[n:9](-[c:15]3[cH:16][c:17]([C:18](=[O:19])[NH:20][CH:21]4[CH2:22][CH2:23]4)[cH:24][cH:25][c:26]3[CH3:27])[cH:10][n:11][c:12]2[cH:13][cH:14]1.[ClH:31].[I-:30].[K+:29].[O:32]1[CH2:33][CH2:34][NH:35][CH2:36][CH2:37][CH2:38]1>>[CH2:2]([CH2:3][O:4][c:5]1[cH:6][c:7]2[c:8](=[O:28])[n:9](-[c:15]3[cH:16][c:17]([C:18](=[O:19])[NH:20][CH:21]4[CH2:22][CH2:23]4)[cH:24][cH:25][c:26]3[CH3:27])[cH:10][n:11][c:12]2[cH:13][cH:14]1)[N:35]1[CH2:34][CH2:33][O:32][CH2:38][CH2:37][CH2:36]1

Participants

8

Reactant 7

HCID 313Hydrochloric AcidHCID 813Potassium CationHCID 8857Ethyl AcetateHCID 30165Iodide IonHCID 81531DiisopropylethylamineHCID 218732751,4-OxazepaneHCID 66918868HCID 66918868, compound

Product 1

HCID 11374652HCID 11374652, compound

Sources & evidence

ORD record
ord-7ed18dadf7d24793a562d8fd9d49cba0
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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