HRID1126213

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6344

Dichloromethane

CH2Cl2

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID81531

Diisopropylethylamine

C8H19N

结构：COc1cc(C)c(S(=O)(=O)N2CCCCC2COCC(=O)O)c(C)c1

HCID57436800

未命名化合物

结构：FC(F)(F)c1cccc(C2(OCCN3CCCC3)CCNCC2)c1

HCID57916275

未命名化合物

PRODUCTS

生成物

结构：COc1cc(C)c(S(=O)(=O)N2CCCCC2COCC(=O)N2CCC(OCCN3CCCC3)(c3cccc(C(F)(F)F)c3)CC2)c(C)c1

HCID178491736

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-cdda1f79751742d9a1f2ea045dff490b
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

[CH2:70]([Cl:71])[Cl:72].[CH3:21][O:22][c:23]1[cH:24][c:25]([CH3:45])[c:26]([S:30](=[O:31])(=[O:32])[N:33]2[CH:34]([CH2:39][O:40][CH2:41][C:42](=[O:43])[OH:44])[CH2:35][CH2:36][CH2:37][CH2:38]2)[c:27]([CH3:29])[cH:28]1.[CH:1]([N:2]([CH:3]([CH3:4])[CH3:5])[CH2:6][CH3:7])([CH3:8])[CH3:9].[ClH:10].[N:46]1([CH2:51][CH2:52][O:53][C:54]2([c:60]3[cH:61][c:62]([C:66]([F:67])([F:68])[F:69])[cH:63][cH:64][cH:65]3)[CH2:55][CH2:56][NH:57][CH2:58][CH2:59]2)[CH2:47][CH2:48][CH2:49][CH2:50]1.[OH:11][n:12]1[c:13]2[c:14]([cH:15][cH:16][cH:17][cH:18]2)[n:19][n:20]1>>[CH3:21][O:22][c:23]1[cH:24][c:25]([CH3:45])[c:26]([S:30](=[O:31])(=[O:32])[N:33]2[CH:34]([CH2:39][O:40][CH2:41][C:42](=[O:44])[N:57]3[CH2:56][CH2:55][C:54]([O:53][CH2:52][CH2:51][N:46]4[CH2:47][CH2:48][CH2:49][CH2:50]4)([c:60]4[cH:61][c:62]([C:66]([F:67])([F:68])[F:69])[cH:63][cH:64][cH:65]4)[CH2:59][CH2:58]3)[CH2:35][CH2:36][CH2:37][CH2:38]2)[c:27]([CH3:29])[cH:28]1