HRID1134649

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1140

Toluene

C7H8

HCID6371

Phosgene

CCl2O

HCID8028

Tetrahydrofuran

C4H8O

HCID22032652

Methyl 4-amino-1H-indazole-1-carboxylate

C9H9N3O2

HCID22337616

未命名化合物

PRODUCTS

生成物

结构：COC(=O)n1ncc2c(NC(=O)NCc3ccc(N4C5CCCC4CC5)c(C(F)(F)F)c3)cccc21

HCID22337659

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7688dae9242047cca3ac521d52603d66
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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