HRID209334

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID6342

Acetonitrile

C2H3N

HCID8471

Triethylamine

C6H15N

HCID137183

Pyridine, 3-chloro-2,4,5,6-tetrafluoro-

C5ClF4N

结构：NCc1ccccc1N1CCN(C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC1

HCID59013938

未命名化合物

PRODUCTS

生成物

结构：O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCN(c2ccccc2CNc2c(F)c(F)nc(F)c2Cl)CC1

HCID59013847

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7a449cd6ed4f47d5a8c32b68aab1ab71
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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