Hydrochloric Acid → Methyl 2-[8-[(2-benzothiazolylamino)carbonyl]-3,4-dihydro-2(1H)-isoquinolinyl]-5-iodo-4-thiazolecarboxylate

HRID 119545Notes

Reaction equation

HRID 119545 reaction equation
[C:36](=[O:37])([O-:38])[O-:39].[Cl:25][c:26]1[s:27][c:28]([I:35])[c:29]([C:31](=[O:32])[O:33][CH3:34])[n:30]1.[ClH:1].[ClH:2].[ClH:42].[Cs+:40].[Cs+:41].[s:3]1[c:4]([NH:12][C:13](=[O:14])[c:15]2[cH:16][cH:17][cH:18][c:19]3[c:24]2[CH2:23][NH:22][CH2:21][CH2:20]3)[n:5][c:6]2[c:7]1[cH:8][cH:9][cH:10][cH:11]2>>[s:3]1[c:4]([NH:12][C:13](=[O:14])[c:15]2[cH:16][cH:17][cH:18][c:19]3[c:24]2[CH2:23][N:22]([c:26]2[s:27][c:28]([I:35])[c:29]([C:31](=[O:32])[O:33][CH3:34])[n:30]2)[CH2:21][CH2:20]3)[n:5][c:6]2[c:7]1[cH:8][cH:9][cH:10][cH:11]2

Participants

6

Reactant 5

HCID 313Hydrochloric Acid3×HCID 19660Carbonate IonHCID 104967Cesium cation2×HCID 59447456N-(Benzo[d]thiazol-2-yl)-1,2,3,4-tetrahydroisoquinoline-8-carboxamideHCID 59447499Methyl 2-chloro-5-iodo-1,3-thiazole-4-carboxylate

Product 1

HCID 59447550Methyl 2-[8-[(2-benzothiazolylamino)carbonyl]-3,4-dihydro-2(1H)-isoquinolinyl]-5-iodo-4-thiazolecarboxylate

Sources & evidence

ORD record
ord-93b013426efd4674908e0afd43aa19c3
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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