Hydrochloric Acid → HCID 68603163, compound

HRID 1546385Notes

Reaction equation

HRID 1546385 reaction equation
[CH2:43]([Cl:44])[Cl:45].[CH:34]([N:35]([CH2:36][CH3:37])[CH:38]([CH3:39])[CH3:40])([CH3:41])[CH3:42].[Cl:1][CH2:2][CH2:3][O:4][c:5]1[cH:6][c:7]2[c:8](=[O:25])[n:9](-[c:15]3[cH:16][c:17]([C:18](=[O:19])[OH:20])[cH:21][cH:22][c:23]3[CH3:24])[cH:10][n:11][c:12]2[cH:13][cH:14]1.[ClH:26].[N-:46]=[C:47]=[O:48].[O:27]1[CH2:28][CH2:29][NH:30][CH2:31][CH2:32][CH2:33]1>>[CH2:2]([CH2:3][O:4][c:5]1[cH:6][c:7]2[c:8](=[O:25])[n:9](-[c:15]3[cH:16][c:17]([C:18](=[O:19])[OH:20])[cH:21][cH:22][c:23]3[CH3:24])[cH:10][n:11][c:12]2[cH:13][cH:14]1)[N:30]1[CH2:29][CH2:28][O:27][CH2:33][CH2:32][CH2:31]1

Participants

7

Reactant 6

HCID 313Hydrochloric AcidHCID 6344DichloromethaneHCID 81531DiisopropylethylamineHCID 105034IsocyanateHCID 218732751,4-OxazepaneHCID 68515557HCID 68515557, compound

Product 1

HCID 68603163HCID 68603163, compound

Sources & evidence

ORD record
ord-c508208c274b407a87cf89ab692e5fb7
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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