Hydrochloric Acid → Hydrochloric Acid

HRID 2126189Notes

Reaction equation

HRID 2126189 reaction equation
[CH2:65]1[O:66][CH2:67][CH2:68][CH2:69]1.[CH3:2][O:3][c:4]1[cH:5][c:6]2[c:9]([cH:10][c:11]1[O:12][CH3:13])[CH:8]([CH2:14][N:15]([CH2:16][CH2:17][C:18](=[O:19])[N:20]1[CH2:21][CH2:22][c:23]3[c:24]([cH:27][c:28]([O:33][CH3:34])[c:29]([O:31][CH3:32])[cH:30]3)[CH2:25][CH2:26]1)[CH3:35])[CH2:7]2.[CH3:36][O:37][c:38]1[cH:39][c:40]2[c:41]([cH:42][c:43]1[O:44][CH3:45])[CH:46]([CH2:47][NH:48][CH3:49])[CH2:50]2.[CH3:51][O:52][c:53]1[cH:54][c:55]2[c:56]([cH:57][c:58]1[O:59][CH3:60])[CH:61]([CH2:62][NH2:63])[CH2:64]2.[ClH:1].[O:70]1[CH2:71][CH2:72][O:73][CH2:74][CH2:75]1>>[CH3:2][O:3][c:4]1[cH:5][c:6]2[c:9]([cH:10][c:11]1[O:12][CH3:13])[CH:8]([CH2:14][NH:15][CH2:16][CH2:17][C:18](=[O:19])[N:20]1[CH2:21][CH2:22][c:23]3[c:24]([cH:27][c:28]([O:33][CH3:34])[c:29]([O:31][CH3:32])[cH:30]3)[CH2:25][CH2:26]1)[CH2:7]2.[ClH:1]

Participants

8

Reactant 6

HCID 313Hydrochloric AcidHCID 8028TetrahydrofuranHCID 312751,4-DioxaneHCID 423512(3,4-Dimethoxy-bicyclo[4.2.0]octa-1,3,5-trien-7-yl)-methylamineHCID 222623581-(3,4-Dimethoxybicyclo[4.2.0]octa-1,3,5-trien-7-yl)-N-methylmethanamineHCID 252137383-[(3,4-Dimethoxy-7-bicyclo[4.2.0]octa-1,3,5-trienyl)methyl-methylamino]-1-(7,8-dimethoxy-1,2,4,5-tetrahydro-3-benzazepin-3-yl)propan-1-one

Product 2

HCID 313Hydrochloric AcidHCID 252137393-[(3,4-Dimethoxy-7-bicyclo[4.2.0]octa-1,3,5-trienyl)methylamino]-1-(7,8-dimethoxy-1,2,4,5-tetrahydro-3-benzazepin-3-yl)propan-1-one

Sources & evidence

ORD record
ord-015edaa249564fe79371825ab1a3c0ac
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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