Dichloromethane → 2'-(acetylamino)-N-(2,2-dimethyl-4-oxo-4H-1,3-benzodioxin-7-yl)-4'-methyl-4,5'-bi-1,3-thiazole-2 carboxamide

HRID 2349908Notes

Reaction equation

HRID 2349908 reaction equation
[C:1]([CH3:2])(=[O:3])[NH:4][c:5]1[s:6][c:7](-[c:11]2[n:12][c:13]([C:16](=[O:17])[Cl:18])[s:14][cH:15]2)[c:8]([CH3:10])[n:9]1.[C:33]([CH2:34][c:35]1[s:36][cH:37][c:38](-[c:39]2[s:40][c:41]([NH:42][C:43](=[O:44])[CH3:45])[n:46][c:47]2[CH3:48])[n:49]1)#[N:50].[CH2:58]1[O:59][CH2:60][CH2:61][CH2:62]1.[CH3:51][CH2:52][N:53]([CH2:54][CH3:55])[CH2:56][CH3:57].[Cl:63][CH2:64][Cl:65].[NH2:19][c:20]1[cH:21][cH:22][c:23]2[c:24]([cH:32]1)[O:25][C:26]([CH3:30])([CH3:31])[O:27][C:28]2=[O:29]>>[C:1]([CH3:2])(=[O:3])[NH:4][c:5]1[s:6][c:7](-[c:11]2[n:12][c:13]([C:16](=[O:17])[NH:19][c:20]3[cH:21][cH:22][c:23]4[c:24]([cH:32]3)[O:25][C:26]([CH3:30])([CH3:31])[O:27][C:28]4=[O:29])[s:14][cH:15]2)[c:8]([CH3:10])[n:9]1

Participants

7

Reactant 6

HCID 6344DichloromethaneHCID 8028TetrahydrofuranHCID 8471TriethylamineHCID 11989522N-[2-(cyanomethyl)-4'-methyl-4,5'-bi-1,3-thiazol-2'-yl]acetamideHCID 231100727-Amino-2,2-dimethyl-4H-1,3-benzodioxine-4-oneHCID 86621993HCID 86621993, compound

Product 1

HCID 866219952'-(acetylamino)-N-(2,2-dimethyl-4-oxo-4H-1,3-benzodioxin-7-yl)-4'-methyl-4,5'-bi-1,3-thiazole-2 carboxamide

Sources & evidence

ORD record
ord-7e162a4fb3744f1aaa82c68f1afa7a4c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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