HRID2343846

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1140

Toluene

C7H8

HCID11776

Triphenylphosphine

C18H15P

HCID220568

ethyl N-ethoxycarbonyliminocarbamate

C6H10N2O4

结构：CCCC(O)c1ccc(COc2ccc(CCC(=O)OCC)c(F)c2)cc1

HCID23143246

未命名化合物

HCID178527830

未命名化合物

PRODUCTS

生成物

结构：CCCC(Sc1nc(-c2ccccc2)cs1)c1ccc(COc2ccc(CCC(=O)OCC)c(F)c2)cc1

HCID23143245

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-cdcb27b68d434c77bb24ab2cf38f5ea2
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[CH3:71][c:72]1[cH:73][cH:74][cH:75][cH:76][cH:77]1.[F:1][c:2]1[c:3]([CH2:21][CH2:22][C:23](=[O:24])[O:25][CH2:26][CH3:27])[cH:4][cH:5][c:6]([O:8][CH2:9][c:10]2[cH:11][cH:12][c:13]([CH:16]([CH2:17][CH2:18][CH3:19])[OH:20])[cH:14][cH:15]2)[cH:7]1.[O:59]=[C:60]([O:61][CH2:62][CH3:63])[N:64]=[N:65][C:66]([O:67][CH2:68][CH3:69])=[O:70].[SH:28][c:29]1[s:30][cH:31][c:32](-[c:34]2[cH:35][cH:36][cH:37][cH:38][cH:39]2)[n:33]1.[c:40]1([P:41]([c:42]2[cH:43][cH:44][cH:45][cH:46][cH:47]2)[c:48]2[cH:49][cH:50][cH:51][cH:52][cH:53]2)[cH:54][cH:55][cH:56][cH:57][cH:58]1>>[F:1][c:2]1[c:3]([CH2:21][CH2:22][C:23](=[O:24])[O:25][CH2:26][CH3:27])[cH:4][cH:5][c:6]([O:8][CH2:9][c:10]2[cH:11][cH:12][c:13]([CH:16]([CH2:17][CH2:18][CH3:19])[S:28][c:29]3[s:30][cH:31][c:32](-[c:34]4[cH:35][cH:36][cH:37][cH:38][cH:39]4)[n:33]3)[cH:14][cH:15]2)[cH:7]1