Water → HCID 86655398, compound

HRID 665109Notes

Reaction equation

HRID 665109 reaction equation
[CH3:22][N:23]([CH3:24])[CH:25]=[O:26].[CH3:53][CH2:54][O:55][C:56](=[O:57])[CH3:58].[Cl:16][C:17]([C:18]([Cl:19])=[O:20])=[O:21].[Cl:1][c:2]1[c:3]([C:4](=[O:5])[OH:6])[cH:7][cH:8][cH:9][c:10]1[C:11]1([C:14]#[N:15])[CH2:12][CH2:13]1.[NH2:27][c:28]1[cH:29][c:30]([O:31][c:32]2[cH:33][c:34]3[c:35]([n:36][c:37]([NH:39][C:40]([CH3:41])=[O:42])[s:38]3)[cH:43][cH:44]2)[cH:45][cH:46][cH:47]1.[O:48]1[CH2:49][CH2:50][CH2:51][CH2:52]1.[OH2:59]>>[Cl:1][c:2]1[c:3]([C:4](=[O:6])[NH:27][c:28]2[cH:29][c:30]([O:31][c:32]3[cH:33][c:34]4[c:35]([n:36][c:37]([NH:39][C:40]([CH3:41])=[O:42])[s:38]4)[cH:43][cH:44]3)[cH:45][cH:46][cH:47]2)[cH:7][cH:8][cH:9][c:10]1[C:11]1([C:14]#[N:15])[CH2:12][CH2:13]1

Participants

8

Reactant 7

HCID 962WaterHCID 6228DimethylformamideHCID 8028TetrahydrofuranHCID 8857Ethyl AcetateHCID 65578Oxalyl chlorideHCID 668103062-Chloro-3-(1-cyanocyclopropyl)benzoic acidHCID 86655397N-[6-(3-aminophenoxy)-1,3-benzothiazol-2-yl]acetamide

Product 1

HCID 86655398HCID 86655398, compound

Sources & evidence

ORD record
ord-ae5def514f34437390893f9200e59336
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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