Hydrochloric Acid → HCID 46836992, compound

HRID 107741Notes

Reaction equation

HRID 107741 reaction equation
[C:39](=[O:40])([O-:41])[O-:42].[CH3:45][S:46]([CH3:47])=[O:48].[Cl:25][c:26]1[c:27]([C:36](=[O:37])[OH:38])[n:28][c:29]([S:32]([CH3:33])(=[O:34])=[O:35])[n:30][cH:31]1.[ClH:1].[ClH:2].[Cs+:43].[Cs+:44].[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:29]2[n:28][c:27]([C:36](=[O:37])[OH:38])[c:26]([Cl:25])[cH:31][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

7

Reactant 6

HCID 313Hydrochloric Acid2×HCID 679Dimethyl SulfoxideHCID 19660Carbonate IonHCID 104967Cesium cation2×HCID 12414595-chloro-2-(methylsulfonyl)pyrimidine-4-carboxylic acidHCID 59447456N-(Benzo[d]thiazol-2-yl)-1,2,3,4-tetrahydroisoquinoline-8-carboxamide

Product 1

HCID 46836992HCID 46836992, compound

Sources & evidence

ORD record
ord-982b3ba97d7c43f488c0716f2dabb3b6
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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