Hydrochloric Acid → trans-{2-[1-(4-Benzo[d]isothiazol-3-yl-cyclohexyl)-8-chloro-4H,6H-2,3,5,10b-tetraaza-benzo[e]azulen-5-yl]-ethyl}-methyl-amine

HRID 191033Notes

Reaction equation

HRID 191033 reaction equation
[C:31](=[O:32])([O-:33])[O-:34].[CH3:38][NH:39][CH2:40][CH2:41][Cl:42].[CH3:43][C:44]#[N:45].[ClH:37].[Cs+:35].[Cs+:36].[s:1]1[n:2][c:3]([CH:10]2[CH2:11][CH2:12][CH:13]([c:16]3[n:17][n:18][c:19]4[n:25]3-[c:24]3[c:23]([cH:29][c:28]([Cl:30])[cH:27][cH:26]3)[CH2:22][NH:21][CH2:20]4)[CH2:14][CH2:15]2)[c:4]2[c:5]1[cH:6][cH:7][cH:8][cH:9]2>>[s:1]1[n:2][c:3]([CH:10]2[CH2:11][CH2:12][CH:13]([c:16]3[n:17][n:18][c:19]4[n:25]3-[c:24]3[c:23]([cH:29][c:28]([Cl:30])[cH:27][cH:26]3)[CH2:22][N:21]([CH2:41][CH2:40][NH:39][CH3:38])[CH2:20]4)[CH2:14][CH2:15]2)[c:4]2[c:5]1[cH:6][cH:7][cH:8][cH:9]2

Participants

7

Reactant 6

HCID 313Hydrochloric AcidHCID 6342AcetonitrileHCID 19660Carbonate IonHCID 20652Ethanamine, 2-chloro-N-methyl-HCID 104967Cesium cation2×HCID 54577735HCID 54577735, compound

Product 1

HCID 54578167trans-{2-[1-(4-Benzo[d]isothiazol-3-yl-cyclohexyl)-8-chloro-4H,6H-2,3,5,10b-tetraaza-benzo[e]azulen-5-yl]-ethyl}-methyl-amine

Sources & evidence

ORD record
ord-a73adc47dca643beaae0c6f6720d0464
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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