Diisopropyl Ether → 5,10-Dihydro-5-[[[2-[2-[(dimethylamino)methyl]-piperidin-1-yl]ethyl]amino]carbonyl]-11H-dibenzo[b,e][1,4]diazepin-11-one

HRID 201704Notes

Reaction equation

HRID 201704 reaction equation
[CH3:20][N:21]([CH3:22])[CH2:23][CH:24]1[N:25]([CH2:30][CH2:31][NH2:32])[CH2:26][CH2:27][CH2:28][CH2:29]1.[CH:33]([O:34][CH:35]([CH3:36])[CH3:37])([CH3:38])[CH3:39].[Cl:1][C:2](=[O:3])[N:4]1[c:5]2[c:6]([cH:16][cH:17][cH:18][cH:19]2)[NH:7][C:8](=[O:15])[c:9]2[c:10]1[cH:11][cH:12][cH:13][cH:14]2>>[C:2](=[O:3])([N:4]1[c:5]2[c:6]([cH:16][cH:17][cH:18][cH:19]2)[NH:7][C:8](=[O:15])[c:9]2[c:10]1[cH:11][cH:12][cH:13][cH:14]2)[NH:32][CH2:31][CH2:30][N:25]1[CH:24]([CH2:23][N:21]([CH3:20])[CH3:22])[CH2:29][CH2:28][CH2:27][CH2:26]1

Participants

4

Reactant 3

HCID 7914Diisopropyl EtherHCID 132767455-chlorocarbonyl-5,10-dihydro-11H-dibenzo[b,e][1,4]diazepin-11-oneHCID 142100022-(2-Dimethylaminomethyl-piperidin-1-yl)-ethylamine

Product 1

HCID 142100765,10-Dihydro-5-[[[2-[2-[(dimethylamino)methyl]-piperidin-1-yl]ethyl]amino]carbonyl]-11H-dibenzo[b,e][1,4]diazepin-11-one

Sources & evidence

ORD record
ord-cea6a5b9a84f4ea5a3f2f2e9f317eca5
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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