Hydrochloric Acid → Hydrochloric Acid

HRID 197581Notes

Reaction equation

HRID 197581 reaction equation
[CH3:2][O:3][c:4]1[cH:5][c:6]2[c:7]([cH:8][c:9]1[O:10][CH3:11])[CH:12]([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])[CH2:13]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:59]([cH:60][c:61]1[O:62][CH3:63])[CH2:58][CH:57]([CH2:64][CH2:65][NH:66][CH3:67])[CH2:56]2.[ClH:1]>>[CH2:14]([N:15]([CH2:16][CH2:17][C:18](=[O:19])[N:20]1[CH2:21][CH2:22][c:23]2[c:24]([cH:27][c:28]([O:33][CH3:34])[c:29]([O:31][CH3:32])[cH:30]2)[CH2:25][CH2:26]1)[CH3:35])[CH2:64][CH:57]1[CH2:56][c:55]2[cH:54][c:53]([O:52][CH3:51])[c:61]([O:62][CH3:63])[cH:60][c:59]2[CH2:58]1.[ClH:1]

Participants

6

Reactant 4

HCID 313Hydrochloric AcidHCID 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-oneHCID 68533314[2-(5,6-dimethoxy-2,3-dihydro-1H-inden-2-yl)ethyl]methylamine

Product 2

HCID 313Hydrochloric AcidHCID 685320503-[2-(5,6-dimethoxy-2,3-dihydro-1H-inden-2-yl)ethyl-methylamino]-1-(7,8-dimethoxy-1,2,4,5-tetrahydro-3-benzazepin-3-yl)propan-1-one

Sources & evidence

ORD record
ord-7bb542d8f5b14cc7a5a4651b57be9e7c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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