Hydrochloric Acid → HCID 67407058, compound

HRID 674095Notes

Reaction equation

HRID 674095 reaction equation
[CH3:59][S:60]([CH3:61])=[O:62].[CH:48]([N:49]([CH2:50][CH3:51])[CH:52]([CH3:53])[CH3:54])([CH3:55])[CH3:56].[ClH:19].[K+:58].[O:1]1[CH2:2][CH2:3][NH:4][c:5]2[c:6]1[cH:7][c:8]([O:11][c:12]1[n:13][c:14]([NH2:18])[n:15][cH:16][cH:17]1)[cH:9][cH:10]2.[OH-:57].[OH2:63].[c:20]1([O:26][C:27](=[O:21])[NH:28][c:29]2[cH:30][c:31]([C:43]([F:44])([F:45])[F:46])[c:32]([CH2:35][N:36]3[CH2:37][CH2:38][N:39]([CH3:42])[CH2:40][CH2:41]3)[cH:33][cH:34]2)[cH:22][cH:23][cH:24][cH:25][cH:47]1>>[O:1]1[CH2:2][CH2:3][N:4]([C:27](=[O:26])[NH:28][c:29]2[cH:30][c:31]([C:43]([F:44])([F:45])[F:46])[c:32]([CH2:35][N:36]3[CH2:37][CH2:38][N:39]([CH3:42])[CH2:40][CH2:41]3)[cH:33][cH:34]2)[c:5]2[c:6]1[cH:7][c:8]([O:11][c:12]1[n:13][c:14]([NH2:18])[n:15][cH:16][cH:17]1)[cH:9][cH:10]2

Participants

9

Reactant 8

HCID 313Hydrochloric AcidHCID 679Dimethyl SulfoxideHCID 813Potassium CationHCID 961HydroxideHCID 962WaterHCID 81531DiisopropylethylamineHCID 59845760HCID 59845760, compoundHCID 67406482HCID 67406482, compound

Product 1

HCID 67407058HCID 67407058, compound

Sources & evidence

ORD record
ord-31b59a476efa4247a1e9952a616f9475
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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