HRID304347

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID1140

Toluene

C7H8

HCID24386

Thionyl chloride

Cl2OS

HCID80652

Benzenepropanoic acid, 2-methoxy-

C10H12O3

HCID11789865

4-phenylbutanoyl chloride

C10H11ClO

HCID21890064

未命名化合物

HCID21891226

未命名化合物

PRODUCTS

生成物

结构：CCN(C(=S)NC(=O)CCc1ccccc1OC)c1ccc(Oc2ccnc3cc(OC)c(OC)cc23)cc1

HCID21891057

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ad9223d0244b48408d6a75a716f308e5
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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