HRID1130599

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID1049

Pyridine

C5H5N

HCID6344

Dichloromethane

CH2Cl2

HCID75954

Butanoyl chloride, 2-ethyl-

C6H11ClO

结构：Cn1nnc(N(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C2CCCNc3cc4c(cc32)COC4)n1

HCID72297451

未命名化合物

PRODUCTS

生成物

结构：CCC(CC)C(=O)N1CCCC(N(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2nnn(C)n2)c2cc3c(cc21)COC3

HCID72297476

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-504418b0660844f997de0febcae79f45
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

[CH2:7]([CH3:8])[CH:9]([C:10](=[O:11])[Cl:12])[CH2:13][CH3:14].[Cl:52][CH2:53][Cl:54].[F:15][C:16]([c:17]1[cH:18][c:19]([CH2:20][N:21]([c:22]2[n:23][n:24][n:25]([CH3:27])[n:26]2)[CH:28]2[CH2:29][CH2:30][CH2:31][NH:32][c:33]3[c:34]2[cH:35][c:36]2[c:40]([cH:41]3)[CH2:39][O:38][CH2:37]2)[cH:42][c:43]([C:45]([F:46])([F:47])[F:48])[cH:44]1)([F:49])[F:50].[OH2:51].[cH:1]1[cH:2][cH:3][n:4][cH:5][cH:6]1>>[CH2:7]([CH3:8])[CH:9]([C:10](=[O:11])[N:32]1[CH2:31][CH2:30][CH2:29][CH:28]([N:21]([CH2:20][c:19]2[cH:18][c:17]([C:16]([F:15])([F:49])[F:50])[cH:44][c:43]([C:45]([F:46])([F:47])[F:48])[cH:42]2)[c:22]2[n:23][n:24][n:25]([CH3:27])[n:26]2)[c:34]2[c:33]1[cH:41][c:40]1[c:36]([cH:35]2)[CH2:37][O:38][CH2:39]1)[CH2:13][CH3:14]