HRID304462

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID962

Water

H2O

HCID8028

Tetrahydrofuran

C4H8O

HCID15908

1-Ethyl-3-(3'-dimethylaminopropyl)carbodiimide

C8H17N3

HCID70334

4,5-Dichlorophthalic anhydride

C8H2Cl2O3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

结构：Cc1c(C)c2c(c(C)c1N)C(c1ccccc1)C(C)(C)O2

HCID10540798

未命名化合物

PRODUCTS

生成物

结构：Cc1c(C)c(N2C(=O)c3cc(Cl)c(Cl)cc3C2=O)c(C)c2c1OC(C)(C)C2c1ccccc1

HCID21961337

5,6-Dichloro-(2,2,4,6,7-pentamethyl-3-phenyl-2,3-dihydro-1-benzofuran-5-yl)-1H-isoindole-1,3(2H)-dione

C27H23Cl2NO3

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-07782af784674b3c8e7508eae9c382bd
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

[CH2:35]([N:36]=[C:37]=[N:38][CH2:39][CH2:40][CH2:41][N:42]([CH3:43])[CH3:44])[CH3:45].[CH3:1][C:2]1([CH3:21])[O:3][c:4]2[c:5]([c:13]([CH3:20])[c:14]([NH2:19])[c:15]([CH3:18])[c:16]2[CH3:17])[CH:6]1[c:7]1[cH:8][cH:9][cH:10][cH:11][cH:12]1.[Cl:22][c:23]1[cH:24][c:25]2[c:26]([cH:32][c:33]1[Cl:34])[C:27](=[O:28])[O:29][C:30]2=[O:31].[Na+:57].[O:58]1[CH2:59][CH2:60][CH2:61][CH2:62]1.[OH-:56].[OH2:63].[OH:46][n:47]1[c:48]2[cH:49][cH:50][cH:51][cH:52][c:53]2[n:54][n:55]1>>[CH3:1][C:2]1([CH3:21])[O:3][c:4]2[c:5]([c:13]([CH3:20])[c:14]([N:19]3[C:27](=[O:28])[c:26]4[c:25]([cH:24][c:23]([Cl:22])[c:33]([Cl:34])[cH:32]4)[C:30]3=[O:29])[c:15]([CH3:18])[c:16]2[CH3:17])[CH:6]1[c:7]1[cH:8][cH:9][cH:10][cH:11][cH:12]1