HRID2323833

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID1140

Toluene

C7H8

HCID6101

4-Methylbenzenesulfonic acid

C7H8O3S

HCID7972

4-Methylmorpholine

C5H11NO

HCID62365

Isobutyl chloroformate

C5H9ClO2

HCID10313528

1-(6-Fluoro-1,3-benzothiazol-2-yl)ethanamine

C9H9FN2S

HCID15020124

未命名化合物

PRODUCTS

生成物

结构：CC(C)OC(=O)NC(C(=O)NC(C)c1nc2ccc(F)cc2s1)C(C)C

HCID18772474

2-Propanyl (1-{[1-(6-fluoro-1,3-benzothiazol-2-yl)ethyl]amino}-3-methyl-1-oxo-2-butanyl)carbamate

C18H24FN3O3S

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-dcd238bd7c854351aa6f14678d692f2e
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

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