Hydrochloric Acid → HCID 22258331, compound

HRID 1117549Notes

Reaction equation

HRID 1117549 reaction equation
[CH3:47][S:48]([CH3:49])=[O:50].[CH:2]1([CH2:5][CH:6]2[CH:7]([NH2:17])[CH2:8][CH2:9][c:10]3[cH:11][c:12]([F:16])[cH:13][cH:14][c:15]32)[CH2:3][CH2:4]1.[CH:38]([N:39]([CH:40]([CH3:41])[CH3:42])[CH2:43][CH3:44])([CH3:45])[CH3:46].[ClH:1].[c:18]1([O:24][C:25](=[O:19])[NH:26][c:27]2[c:28]3[cH:29][cH:30][n:31][cH:32][c:33]3[cH:34][cH:35][cH:36]2)[cH:20][cH:21][cH:22][cH:23][cH:37]1>>[CH:2]1([CH2:5][CH:6]2[CH:7]([NH:17][C:25](=[O:24])[NH:26][c:27]3[c:28]4[cH:29][cH:30][n:31][cH:32][c:33]4[cH:34][cH:35][cH:36]3)[CH2:8][CH2:9][c:10]3[cH:11][c:12]([F:16])[cH:13][cH:14][c:15]32)[CH2:3][CH2:4]1

Participants

6

Reactant 5

HCID 313Hydrochloric AcidHCID 679Dimethyl SulfoxideHCID 81531DiisopropylethylamineHCID 11380046Phenyl isoquinolin-5-ylcarbamateHCID 22258335HCID 22258335, compound

Product 1

HCID 22258331HCID 22258331, compound

Sources & evidence

ORD record
ord-3e4b5324c33242b0b682b3464cddf99c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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