Chloride → HCID 72246512, compound

HRID 1116816Notes

Reaction equation

HRID 1116816 reaction equation
[CH:14]([N:15]([CH2:16][CH3:17])[CH:18]([CH3:19])[CH3:20])([CH3:21])[CH3:22].[Cl-:13].[Cl-:1].[Cl:23][c:24]1[cH:25][c:26]2[cH:27][c:28]([N:36]=[C:37]=[S:38])[n:29][cH:30][c:31]2[cH:32][c:33]1[O:34][CH3:35].[NH3+:2][CH2:3][C:4]1([OH:12])[CH2:5][NH+:6]2[CH2:7][CH2:8][CH:9]1[CH2:10][CH2:11]2.[O:39]=[CH:40][N:41]([CH3:42])[CH3:43]>>[NH:2]([CH2:3][C:4]1([OH:12])[CH2:5][N:6]2[CH2:7][CH2:8][CH:9]1[CH2:10][CH2:11]2)[C:37]([NH:36][c:28]1[cH:27][c:26]2[cH:25][c:24]([Cl:23])[c:33]([O:34][CH3:35])[cH:32][c:31]2[cH:30][n:29]1)=[S:38]

Participants

6

Reactant 5

HCID 312Chloride2×HCID 6228DimethylformamideHCID 81531DiisopropylethylamineHCID 58088185HCID 58088185, compoundHCID 59286551HCID 59286551, compound

Product 1

HCID 72246512HCID 72246512, compound

Sources & evidence

ORD record
ord-eb32400e77874a2a8d4cdc545597c9bb
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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