HRID812181

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6228

Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

HCID53167

1-Methylpiperazine

C5H12N2

反应SMILES：CN(CCCl)S(=O)(=O)c1ccc(-c2ncnc3ccc(-c4cn(C(c5ccccc5)(c5ccccc5)c5ccccc5)nc4-c4ccc(F)cc4)cc23)s1

HCID23537718

未命名化合物

PRODUCTS

产物

反应SMILES：CN1CCN(CCN(C)S(=O)(=O)c2ccc(-c3ncnc4ccc(-c5cn(C(c6ccccc6)(c6ccccc6)c6ccccc6)nc5-c5ccc(F)cc5)cc34)s2)CC1

HCID68813750

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-7fb7761f3667407d81929a75e887291a
来源数据集: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Test data from https://doi.org/10.1039/C8SC04228D

反应SMILES

[CH3:55][N:56]1[CH2:57][CH2:58][NH:59][CH2:60][CH2:61]1.[CH3:62][CH2:63][N:64]([CH2:65][CH3:66])[CH2:67][CH3:68].[CH3:69][N:70]([CH3:71])[CH:72]=[O:73].[CH3:75][CH2:76][O:77][C:78](=[O:79])[CH3:80].[Cl:1][CH2:2][CH2:3][N:4]([S:5](=[O:6])(=[O:7])[c:8]1[s:9][c:10](-[c:13]2[n:14][cH:15][n:16][c:17]3[cH:18][cH:19][c:20](-[c:23]4[c:24](-[c:47]5[cH:48][cH:49][c:50]([F:53])[cH:51][cH:52]5)[n:25][n:26]([C:28]([c:29]5[cH:30][cH:31][cH:32][cH:33][cH:34]5)([c:35]5[cH:36][cH:37][cH:38][cH:39][cH:40]5)[c:41]5[cH:42][cH:43][cH:44][cH:45][cH:46]5)[cH:27]4)[cH:21][c:22]23)[cH:11][cH:12]1)[CH3:54].[OH2:74]>>[CH2:2]([CH2:3][N:4]([S:5](=[O:6])(=[O:7])[c:8]1[s:9][c:10](-[c:13]2[n:14][cH:15][n:16][c:17]3[cH:18][cH:19][c:20](-[c:23]4[c:24](-[c:47]5[cH:48][cH:49][c:50]([F:53])[cH:51][cH:52]5)[n:25][n:26]([C:28]([c:29]5[cH:30][cH:31][cH:32][cH:33][cH:34]5)([c:35]5[cH:36][cH:37][cH:38][cH:39][cH:40]5)[c:41]5[cH:42][cH:43][cH:44][cH:45][cH:46]5)[cH:27]4)[cH:21][c:22]23)[cH:11][cH:12]1)[CH3:54])[N:59]1[CH2:58][CH2:57][N:56]([CH3:55])[CH2:61][CH2:60]1