Water → HCID 10029454, compound

HRID 141170Notes

Reaction equation

HRID 141170 reaction equation
[CH2:51]([Cl:52])[Cl:53].[CH3:1][S:2](=[O:3])(=[O:4])[c:5]1[c:6]([C:22]([F:23])([F:24])[F:25])[cH:7][c:8]([CH:11]([C:12](=[O:13])[OH:14])[CH2:15][CH:16]2[O:17][CH2:18][CH2:19][CH2:20][CH2:21]2)[cH:9][cH:10]1.[CH3:32][O:33][C:34]([c:35]1[cH:36][n:37][c:38]([NH2:41])[cH:39][cH:40]1)=[O:42].[CH3:60][N:61]([CH3:62])[CH:63]=[O:64].[Cl:26][C:27]([C:28]([Cl:29])=[O:30])=[O:31].[O:54]1[CH2:55][CH2:56][CH2:57][CH2:58]1.[OH2:59].[n:43]1[c:44]([CH3:45])[cH:46][cH:47][cH:48][c:49]1[CH3:50]>>[CH3:1][S:2](=[O:3])(=[O:4])[c:5]1[c:6]([C:22]([F:23])([F:24])[F:25])[cH:7][c:8]([CH:11]([C:12](=[O:14])[NH:41][c:38]2[n:37][cH:36][c:35]([C:34]([O:33][CH3:32])=[O:42])[cH:40][cH:39]2)[CH2:15][CH:16]2[O:17][CH2:18][CH2:19][CH2:20][CH2:21]2)[cH:9][cH:10]1

Participants

9

Reactant 8

HCID 962WaterHCID 6228DimethylformamideHCID 6344DichloromethaneHCID 79372,6-LutidineHCID 8028TetrahydrofuranHCID 65578Oxalyl chlorideHCID 737487Methyl 6-aminonicotinateHCID 21958991HCID 21958991, compound

Product 1

HCID 10029454HCID 10029454, compound

Sources & evidence

ORD record
ord-c848827fec784a94a7275faf4082317a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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