HRID178920

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11

1,2-Dichloroethane

C2H4Cl2

HCID176

Acetic Acid

C2H4O2

HCID6386

tert-Butyl alcohol

C4H10O

HCID81531

Diisopropylethylamine

C8H19N

HCID45480403

N-[3-(Aminomethyl)pyridin-2-yl]-N-methylmethanesulfonamide

C8H13N3O2S

结构：CC(C)(C)OC(=O)c1cccc(Nc2ncc(C(F)(F)F)c(Cl)n2)c1

HCID57584682

未命名化合物

PRODUCTS

生成物

结构：CN(c1ncccc1CNc1nc(Nc2cccc(C(=O)OC(C)(C)C)c2)ncc1C(F)(F)F)S(C)(=O)=O

HCID25116907

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6a84019b25e04f2fbc38b37d2dde926d
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

[C:40]([OH:41])(=[O:42])[CH3:43].[CH3:1][C:2]([OH:3])([CH3:4])[CH3:5].[CH:6]([N:7]([CH2:8][CH3:9])[CH:10]([CH3:11])[CH3:12])([CH3:13])[CH3:14].[Cl:15][c:16]1[n:17][c:18]([NH:26][c:27]2[cH:28][c:29]([C:30](=[O:31])[O:32][C:33]([CH3:34])([CH3:35])[CH3:36])[cH:37][cH:38][cH:39]2)[n:19][cH:20][c:21]1[C:22]([F:23])([F:24])[F:25].[Cl:58][CH2:59][CH2:60][Cl:61].[NH2:44][CH2:45][c:46]1[c:47]([N:52]([S:53](=[O:54])(=[O:55])[CH3:56])[CH3:57])[n:48][cH:49][cH:50][cH:51]1>>[c:16]1([NH:44][CH2:45][c:46]2[c:47]([N:52]([S:53](=[O:54])(=[O:55])[CH3:56])[CH3:57])[n:48][cH:49][cH:50][cH:51]2)[n:17][c:18]([NH:26][c:27]2[cH:28][c:29]([C:30](=[O:31])[O:32][C:33]([CH3:34])([CH3:35])[CH3:36])[cH:37][cH:38][cH:39]2)[n:19][cH:20][c:21]1[C:22]([F:23])([F:24])[F:25]