HRID960679

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID1140

Toluene

C7H8

HCID24386

Thionyl chloride

Cl2OS

HCID74651

(2-Methylphenoxy)acetic acid

C9H10O3

HCID11616363

4-[(6,7-Dimethoxy-4-quinazolinyl)oxy]benzenamine

C16H15N3O3

HCID12353488

(2-Methylphenoxy)acetyl chloride

C9H9ClO2

HCID12353491

(2-Methylphenoxy)acetyl isothiocyanate

C10H9NO2S

PRODUCTS

生成物

结构：COc1cc2ncnc(Oc3ccc(NC(=S)NC(=O)COc4ccccc4C)cc3)c2cc1OC

HCID21891198

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-005a7bf667f848cf9387d2998e4cc1b1
来源数据集: Validation data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Validation data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

[CH3:17][c:18]1[cH:19][cH:20][cH:21][cH:22][c:23]1[O:24][CH2:25][C:26]([Cl:27])=[O:28].[CH3:29][O:30][c:31]1[cH:32][c:33]2[c:34]([O:43][c:44]3[cH:45][cH:46][c:47]([NH2:48])[cH:49][cH:50]3)[n:35][cH:36][n:37][c:38]2[cH:39][c:40]1[O:41][CH3:42].[CH3:51][c:52]1[c:53]([O:54][CH2:55][C:56](=[O:57])[N:58]=[C:59]=[S:60])[cH:61][cH:62][cH:63][cH:64]1.[CH3:5][c:6]1[cH:7][cH:8][cH:9][cH:10][c:11]1[O:12][CH2:13][C:14]([OH:15])=[O:16].[CH3:65][c:66]1[cH:67][cH:68][cH:69][cH:70][cH:71]1.[CH3:72][CH2:73][OH:74].[S:1]([Cl:2])([Cl:3])=[O:4]>>[CH3:29][O:30][c:31]1[cH:32][c:33]2[c:34]([O:43][c:44]3[cH:45][cH:46][c:47]([NH:48][C:59]([NH:58][C:56]([CH2:55][O:54][c:53]4[c:52]([CH3:51])[cH:64][cH:63][cH:62][cH:61]4)=[O:57])=[S:60])[cH:49][cH:50]3)[n:35][cH:36][n:37][c:38]2[cH:39][c:40]1[O:41][CH3:42]