HRID314356

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1140

Toluene

C7H8

HCID8471

Triethylamine

C6H15N

HCID13405

p-Toluoyl chloride

C8H7ClO

结构：CC(C)C(NCC(CCCNC(=O)OCc1ccccc1)NC(=O)OC(C)(C)C)c1nc2cc(Cl)ccc2c(=O)n1Cc1ccccc1

HCID178449060

未命名化合物

PRODUCTS

生成物

结构：Cc1ccc(C(=O)N(CC(CCCNC(=O)OCc2ccccc2)NC(=O)OC(C)(C)C)C(c2nc3cc(Cl)ccc3c(=O)n2Cc2ccccc2)C(C)C)cc1

HCID69075315

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-451dad7b8de8469e80c283b29c5678b2
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:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([NH:7][CH:8]([CH2:9][CH2:10][CH2:11][NH:12][C:13](=[O:14])[O:15][CH2:16][c:17]1[cH:18][cH:19][cH:20][cH:21][cH:22]1)[CH2:23][NH:24][CH:25]([CH:26]([CH3:27])[CH3:28])[c:29]1[n:30][c:31]2[cH:32][c:33]([Cl:47])[cH:34][cH:35][c:36]2[c:37](=[O:46])[n:38]1[CH2:39][c:40]1[cH:41][cH:42][cH:43][cH:44][cH:45]1)=[O:48].[CH3:49][CH2:50][N:51]([CH2:52][CH3:53])[CH2:54][CH3:55].[CH3:66][c:67]1[cH:68][cH:69][cH:70][cH:71][cH:72]1.[c:56]1([CH3:65])[cH:57][cH:58][c:59]([C:62](=[O:63])[Cl:64])[cH:60][cH:61]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([NH:7][CH:8]([CH2:9][CH2:10][CH2:11][NH:12][C:13](=[O:14])[O:15][CH2:16][c:17]1[cH:18][cH:19][cH:20][cH:21][cH:22]1)[CH2:23][N:24]([CH:25]([CH:26]([CH3:27])[CH3:28])[c:29]1[n:30][c:31]2[cH:32][c:33]([Cl:47])[cH:34][cH:35][c:36]2[c:37](=[O:46])[n:38]1[CH2:39][c:40]1[cH:41][cH:42][cH:43][cH:44][cH:45]1)[C:62]([c:59]1[cH:58][cH:57][c:56]([CH3:65])[cH:61][cH:60]1)=[O:63])=[O:48]