HRID114441

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID88675

1,8-Bis(dimethylamino)naphthalene

C14H18N2

HCID521305

1-Chloroethyl carbonochloridate

C3H4Cl2O2

结构：CC(C)(C)OC(=O)N(c1cscn1)S(=O)(=O)c1ccc(Oc2ccc(Cl)cc2-c2ccnn2C2CN(C(c3ccccc3)c3ccccc3)C2)c(C#N)c1

HCID59436484

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N(c1cscn1)S(=O)(=O)c1ccc(Oc2ccc(Cl)cc2-c2ccnn2C2CNC2)c(C#N)c1

HCID59436550

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e4457741124b4147875d14e4757a9855
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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