HRID99383

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID223

Ammonia ion (NH4+)

H4N+

HCID312

Chloride

Cl-

HCID7500

Ethylbenzene

C8H10

HCID8028

Tetrahydrofuran

C4H8O

2 次

HCID8900

Heptane

C7H16

HCID28486

Lithium ion

Li+

HCID65741

Diphenylcarbamyl chloride

C13H10ClNO

HCID5062348

未命名化合物

HCID54109936

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)COc1cccc(C=CCOC(=O)N(c2ccccc2)c2ccccc2)c1

HCID54050267

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3aa2222b6d344126be598a7ef15c0c04
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

[C:29]([CH3:30])([CH3:31])([CH3:32])[O:33][C:34]([CH2:35][O:36][c:37]1[cH:38][c:39]([CH:43]=[CH:44][CH2:45][OH:46])[cH:40][cH:41][cH:42]1)=[O:47].[CH2:9]([c:10]1[cH:11][cH:12][cH:13][cH:14][cH:15]1)[CH3:16].[CH3:17][CH2:18][CH2:19][CH2:20][CH2:21][CH2:22][CH3:23].[CH:1]([N-:2][CH:3]([CH3:4])[CH3:5])([CH3:6])[CH3:7].[Cl-:64].[Li+:8].[NH4+:65].[O:24]1[CH2:25][CH2:26][CH2:27][CH2:28]1.[O:66]1[CH2:67][CH2:68][CH2:69][CH2:70]1.[c:48]1([N:54]([C:55](=[O:56])[Cl:57])[c:58]2[cH:59][cH:60][cH:61][cH:62][cH:63]2)[cH:49][cH:50][cH:51][cH:52][cH:53]1>>[C:29]([CH3:30])([CH3:31])([CH3:32])[O:33][C:34]([CH2:35][O:36][c:37]1[cH:38][c:39]([CH:43]=[CH:44][CH2:45][O:46][C:55]([N:54]([c:48]2[cH:49][cH:50][cH:51][cH:52][cH:53]2)[c:58]2[cH:59][cH:60][cH:61][cH:62][cH:63]2)=[O:56])[cH:40][cH:41][cH:42]1)=[O:47]