Water → HCID 178502783, compound

HRID 2131687Notes

Reaction equation

HRID 2131687 reaction equation
[C:1]([CH3:2])(=[O:3])[S:4][CH:5]1[CH:6]([NH:10][C:11]([c:12]2[cH:13][cH:14][cH:15][cH:16][cH:17]2)([c:18]2[cH:19][cH:20][cH:21][cH:22][cH:23]2)[c:24]2[cH:25][cH:26][cH:27][cH:28][cH:29]2)[C:7](=[O:9])[NH:8]1.[CH2:67]1[O:68][CH:69]1[CH3:70].[CH3:71][CH2:72][N:73]([CH2:74][CH3:75])[CH2:76][CH3:77].[Cl:50][CH2:51][C:52](=[O:53])[NH:54][c:55]1[s:56][cH:57][c:58]([C:60]([C:61](=[O:62])[OH:63])=[N:64][O:65][CH3:66])[n:59]1.[O:42]=[C:43]([Cl:44])[O:45][C:46]([Cl:47])([Cl:48])[Cl:49].[O:78]=[CH:79][N:80]([CH3:81])[CH3:82].[OH2:30].[c:31]1([CH3:32])[cH:33][cH:34][c:35]([S:36]([OH:37])(=[O:38])=[O:39])[cH:40][cH:41]1.[cH:83]1[cH:84][cH:85][n:86][cH:87][cH:88]1>>[C:1]([CH3:2])(=[O:3])[S:4][CH:5]1[CH:6]([NH:10][C:61]([C:60]([c:58]2[cH:57][s:56][c:55]([NH:54][C:52]([CH2:51][Cl:50])=[O:53])[n:59]2)=[N:64][O:65][CH3:66])=[O:63])[C:7](=[O:9])[NH:8]1

Participants

10

Reactant 9

HCID 962WaterHCID 1049PyridineHCID 6101p-Toluenesulfonic acidHCID 6228DimethylformamideHCID 6378Propylene OxideHCID 8471TriethylamineHCID 10426DiphosgeneHCID 581157C8H8ClN3O4SHCID 178477051HCID 178477051, compound

Product 1

HCID 178502783HCID 178502783, compound

Sources & evidence

ORD record
ord-1e9b603e7e1a46298c6cf8716ac8999a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

Loading…