HRID697285

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID223

Ammonia ion (NH4+)

H4N+

HCID312

Chloride

Cl-

HCID8028

Tetrahydrofuran

C4H8O

HCID8471

Triethylamine

C6H15N

HCID78705

Cyclobutanecarbonyl chloride

C5H7ClO

反应SMILES：Nc1cn2nc(Oc3cccc(NC(=O)c4cccc(C(F)(F)F)c4)c3)ccc2n1

HCID57385788

未命名化合物

PRODUCTS

产物

反应SMILES：O=C(Nc1cccc(Oc2ccc3nc(NC(=O)C4CCC4)cn3n2)c1)c1cccc(C(F)(F)F)c1

HCID57386316

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-3bcce908699d4885b1f16679170ad953
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

[CH3:31][CH2:32][N:33]([CH2:34][CH3:35])[CH2:36][CH3:37].[CH:38]1([C:42](=[O:43])[Cl:44])[CH2:39][CH2:40][CH2:41]1.[Cl-:45].[NH2:1][c:2]1[n:3][c:4]2[n:5]([n:6][c:7]([O:10][c:11]3[cH:12][c:13]([NH:17][C:18]([c:19]4[cH:20][c:21]([C:25]([F:26])([F:27])[F:28])[cH:22][cH:23][cH:24]4)=[O:29])[cH:14][cH:15][cH:16]3)[cH:8][cH:9]2)[cH:30]1.[NH4+:46].[O:47]1[CH2:48][CH2:49][CH2:50][CH2:51]1>>[NH:1]([c:2]1[n:3][c:4]2[n:5]([n:6][c:7]([O:10][c:11]3[cH:12][c:13]([NH:17][C:18]([c:19]4[cH:20][c:21]([C:25]([F:26])([F:27])[F:28])[cH:22][cH:23][cH:24]4)=[O:29])[cH:14][cH:15][cH:16]3)[cH:8][cH:9]2)[cH:30]1)[C:42]([CH:38]1[CH2:39][CH2:40][CH2:41]1)=[O:43]