HRID2161094

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

结构：O=C(OC1CCCCC1)c1csc(C2CCN(C(=O)Cn3nc(C(F)(F)F)cc3C(F)(F)F)CC2)n1

HCID44468373

未命名化合物

HCID86647452

未命名化合物

结构：O=C(Oc1cccc2ccccc12)c1csc(C2CC[NH2+]CC2)n1

HCID178524207

未命名化合物

PRODUCTS

生成物

结构：O=C(Oc1cccc2ccccc12)c1csc(C2CCN(C(=O)Cn3nc(C(F)(F)F)cc3C(F)(F)F)CC2)n1

HCID44468374

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d05a6909d6a042b6a86a78def542f4ef
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[Cl-:1].[F:26][C:27]([c:28]1[n:29][n:30]([CH2:37][C:38](=[O:39])[N:40]2[CH2:41][CH2:42][CH:43]([c:44]3[s:45][cH:46][c:47]([C:48]([O:49][CH:50]4[CH2:51][CH2:52][CH2:53][CH2:54][CH2:55]4)=[O:56])[n:57]3)[CH2:58][CH2:59]2)[c:31]([C:33]([F:34])([F:35])[F:36])[cH:32]1)([F:60])[F:61].[F:62][C:63]([F:64])([F:65])[c:66]1[cH:67][c:68]([C:69]([F:70])([F:71])[F:72])[n:73]([CH2:74][C:75]([OH:76])=[O:77])[n:78]1.[c:2]1([O:12][C:13](=[O:14])[c:15]2[n:16][c:17]([CH:20]3[CH2:21][CH2:22][NH2+:23][CH2:24][CH2:25]3)[s:18][cH:19]2)[cH:3][cH:4][cH:5][c:6]2[cH:7][cH:8][cH:9][cH:10][c:11]12>>[c:2]1([O:12][C:13](=[O:14])[c:15]2[n:16][c:17]([CH:20]3[CH2:21][CH2:22][N:23]([C:38]([CH2:37][n:30]4[n:29][c:28]([C:27]([F:26])([F:60])[F:61])[cH:32][c:31]4[C:33]([F:34])([F:35])[F:36])=[O:39])[CH2:24][CH2:25]3)[s:18][cH:19]2)[cH:3][cH:4][cH:5][c:6]2[cH:7][cH:8][cH:9][cH:10][c:11]12