HRID1145403

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11

1,2-Dichloroethane

C2H4Cl2

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID82111

N-(3-Aminopropyl)pyrrolidin-2-one

C7H14N2O

结构：Cc1cc(Nc2nccc(C(F)(F)F)n2)cc(-c2cnc(C3(O)CCC(C(=O)O)C(C)(C)C3)s2)c1

HCID75992333

未命名化合物

PRODUCTS

生成物

结构：Cc1cc(Nc2nccc(C(F)(F)F)n2)cc(-c2cnc(C3(O)CCC(C(=O)NCCCN4CCCC4=O)C(C)(C)C3)s2)c1

HCID68218125

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-681f14408a604f86a0437472c4caae16
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

[CH2:46]([Cl:47])[CH2:48][Cl:49].[CH3:60][CH2:61][N:62]([CH2:63][CH3:64])[CH2:65][CH3:66].[CH3:67][N:68]([CH3:69])[CH:70]=[O:71].[NH2:36][CH2:37][CH2:38][CH2:39][N:40]1[C:41](=[O:45])[CH2:42][CH2:43][CH2:44]1.[OH:1][C:2]1([c:13]2[s:14][c:15](-[c:18]3[cH:19][c:20]([CH3:35])[cH:21][c:22]([NH:24][c:25]4[n:26][cH:27][cH:28][c:29]([C:31]([F:32])([F:33])[F:34])[n:30]4)[cH:23]3)[cH:16][n:17]2)[CH2:3][C:4]([CH3:11])([CH3:12])[CH:5]([C:8](=[O:9])[OH:10])[CH2:6][CH2:7]1.[OH:50][n:51]1[c:52]2[c:53]([cH:54][cH:55][cH:56][cH:57]2)[n:58][n:59]1>>[OH:1][C:2]1([c:13]2[s:14][c:15](-[c:18]3[cH:19][c:20]([CH3:35])[cH:21][c:22]([NH:24][c:25]4[n:26][cH:27][cH:28][c:29]([C:31]([F:32])([F:33])[F:34])[n:30]4)[cH:23]3)[cH:16][n:17]2)[CH2:3][C:4]([CH3:11])([CH3:12])[CH:5]([C:8](=[O:10])[NH:36][CH2:37][CH2:38][CH2:39][N:40]2[C:41](=[O:45])[CH2:42][CH2:43][CH2:44]2)[CH2:6][CH2:7]1