HRID702989

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID8028

Tetrahydrofuran

C4H8O

HCID8471

Triethylamine

C6H15N

HCID15063652

1-(1,3-Thiazol-4-yl)methanamine

C4H6N2S

结构：CC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)N(C(=O)OC(C)(C)C)c1nc(Cl)nc(Cl)c1F

HCID58000755

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)N(C(=O)OC(C)(C)C)c1nc(Cl)nc(NCc2cscn2)c1F

HCID86637026

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-045fcda292d44630a2dc438df40648b5
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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