HRID200045

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID2737812

2,5-Bis(trifluoromethyl)benzoyl chloride

C9H3ClF6O

结构：O=C(Cc1ccsc1)N1CCC(c2nc(CCc3ccccc3)cs2)CC1

HCID67156600

未命名化合物

HCID67156884

未命名化合物

PRODUCTS

生成物

结构：O=C(c1cc(C(F)(F)F)ccc1C(F)(F)F)N1CCC(c2nc(CCc3ccccc3)cs2)CC1

HCID86642046

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8841de077b03458fb295f14aeccdef18
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

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