HRID2148944

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6342

Acetonitrile

C2H3N

HCID12889

Benzoic acid, 3,5-bis(trifluoromethyl)-

C9H4F6O2

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

结构：CC(C)(C)OC(=O)N1CC(N)C(c2ccc(Cl)c(Cl)c2)C1

HCID68302939

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CC(NC(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(c2ccc(Cl)c(Cl)c2)C1

HCID89176302

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e203960ce54847dfb2f8cb86840d8c5e
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

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