HRID297647

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID2777670

1-[2-(Trifluoromethyl)phenyl]piperazine

C11H13F3N2

结构：O=C(O)c1cccc(-c2cnc3c(c2)N(Cc2cc(Cl)ccc2C(F)(F)F)CCN3)c1

HCID58327807

未命名化合物

PRODUCTS

生成物

结构：O=C(c1cccc(-c2cnc3c(c2)N(Cc2cc(Cl)ccc2C(F)(F)F)CCN3)c1)N1CCN(c2ccccc2C(F)(F)F)CC1

HCID58327869

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a7309b130e9c489286ebe0af2d3bbe33
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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