Hydrochloric Acid → HCID 178491498, compound

HRID 194616Notes

Reaction equation

HRID 194616 reaction equation
[CH3:36][N:37]1[CH2:38][CH2:39][O:40][CH2:41][CH2:42]1.[CH3:43][C:44]#[N:45].[Cl:2][c:3]1[c:4](-[c:10]2[n:11][c:12]3[cH:13][c:14]4[cH:15][n:16][nH:17][c:18]4[cH:19][c:20]3[nH:21]2)[c:5](=[O:9])[nH:6][cH:7][cH:8]1.[ClH:1].[ClH:22].[NH2:23][CH2:24][CH:25]([OH:26])[c:27]1[cH:28][c:29]([Br:35])[c:30]([O:33][CH3:34])[cH:31][cH:32]1>>[c:3]1([NH:23][CH2:24][CH:25]([OH:26])[c:27]2[cH:28][c:29]([Br:35])[c:30]([O:33][CH3:34])[cH:31][cH:32]2)[c:4](-[c:10]2[n:11][c:12]3[cH:13][c:14]4[cH:15][n:16][nH:17][c:18]4[cH:19][c:20]3[nH:21]2)[c:5](=[O:9])[nH:6][cH:7][cH:8]1

Participants

6

Reactant 5

HCID 313Hydrochloric Acid2×HCID 6342AcetonitrileHCID 79724-MethylmorpholineHCID 124740192-Amino-1-(3-bromo-4-methoxyphenyl)ethan-1-olHCID 178518695HCID 178518695, compound

Product 1

HCID 178491498HCID 178491498, compound

Sources & evidence

ORD record
ord-18800848c9e74e88bd96324d9ccbeae2
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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