HRID2349608

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1140

Toluene

C7H8

HCID8028

Tetrahydrofuran

C4H8O

2 次

HCID10426

Carbonochloridic acid, trichloromethyl ester

C2Cl4O2

HCID81531

Diisopropylethylamine

C8H19N

结构：CC(C)(C)OCCOc1ccc(C(N)C(=O)NC(Cc2ccccc2)c2nc3cc(I)ccc3[nH]2)cc1

HCID178450555

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OCCOc1ccc(C2NC(=O)N(C(Cc3ccccc3)c3nc4cc(I)ccc4[nH]3)C2=O)cc1

HCID178450550

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-396fc0083131440ba7417d0b2e3289bb
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

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