HRID307386

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11

1,2-Dichloroethane

C2H4Cl2

HCID313

Hydrochloric Acid

ClH

HCID3571581

2-tert-Butyl-1,1,3,3-tetramethylguanidine

C9H21N3

结构：CCCCCC(OCc1ccc(OC)cc1)c1ccc(C2C(CCCc3ccc(C(=O)OC)s3)CCC2(Br)Br)cc1

HCID178444973

未命名化合物

PRODUCTS

生成物

结构：CCCCCC(OCc1ccc(OC)cc1)c1ccc(C2=C(Br)CCC2CCCc2ccc(C(=O)OC)s2)cc1

HCID178444972

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5bfef8f5c8ca408b817bea62afd12c6a
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

[C:42]([N:43]=[C:44]([N:45]([CH3:46])[CH3:47])[N:48]([CH3:49])[CH3:50])([CH3:51])([CH3:52])[CH3:53].[CH3:1][O:2][C:3](=[O:4])[c:5]1[s:6][c:7]([CH2:10][CH2:11][CH2:12][CH:13]2[CH:14]([c:20]3[cH:21][cH:22][c:23]([CH:26]([CH2:27][CH2:28][CH2:29][CH2:30][CH3:31])[O:32][CH2:33][c:34]4[cH:35][cH:36][c:37]([O:40][CH3:41])[cH:38][cH:39]4)[cH:24][cH:25]3)[C:15]([Br:18])([Br:19])[CH2:16][CH2:17]2)[cH:8][cH:9]1.[Cl:55][CH2:56][CH2:57][Cl:58].[ClH:54]>>[CH3:1][O:2][C:3](=[O:4])[c:5]1[s:6][c:7]([CH2:10][CH2:11][CH2:12][CH:13]2[C:14]([c:20]3[cH:21][cH:22][c:23]([CH:26]([CH2:27][CH2:28][CH2:29][CH2:30][CH3:31])[O:32][CH2:33][c:34]4[cH:35][cH:36][c:37]([O:40][CH3:41])[cH:38][cH:39]4)[cH:24][cH:25]3)=[C:15]([Br:18])[CH2:16][CH2:17]2)[cH:8][cH:9]1