HRID1229251

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：CSc1cc(C)nc(SC)c1NC(=O)CN1CCN(CCO)CC1

HCID11689240

未命名化合物

PRODUCTS

生成物

结构：Cc1cc(OCC(F)(F)F)c(NC(=O)CN2CCN(CCSc3nc4cc(F)c(F)cc4[nH]3)CC2)c(OCC(F)(F)F)n1

HCID10009759

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d7cd0a528b6e4b7e847fcf501667949b
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[F:67][c:68]1[cH:69][c:70]2[c:71]([n:72][c:73]([SH:75])[nH:74]2)[cH:76][c:77]1[F:78].[OH:1][CH2:2][CH2:3][N:4]1[CH2:5][CH2:6][N:7]([CH2:8][C:9]([NH:10][c:11]2[c:12]([S:13][CH3:14])[n:15][c:16]([CH3:17])[cH:18][c:19]2[S:20][CH3:21])=[O:22])[CH2:23][CH2:24]1.[OH:25][CH2:26][CH2:27][N:28]1[CH2:29][CH2:30][N:31]([CH2:34][C:35](=[O:36])[NH:37][c:38]2[c:39]([O:51][CH2:52][C:53]([F:54])([F:55])[F:56])[n:40][c:41]([CH3:50])[cH:42][c:43]2[O:44][CH2:45][C:46]([F:47])([F:48])[F:49])[CH2:32][CH2:33]1.[SH:57][c:58]1[nH:59][c:60]2[cH:61][cH:62][cH:63][cH:64][c:65]2[n:66]1>>[CH2:26]([CH2:27][N:28]1[CH2:29][CH2:30][N:31]([CH2:34][C:35](=[O:36])[NH:37][c:38]2[c:39]([O:51][CH2:52][C:53]([F:54])([F:55])[F:56])[n:40][c:41]([CH3:50])[cH:42][c:43]2[O:44][CH2:45][C:46]([F:47])([F:48])[F:49])[CH2:32][CH2:33]1)[S:75][c:73]1[nH:72][c:71]2[c:70]([cH:69][c:68]([F:67])[c:77]([F:78])[cH:76]2)[n:74]1