HRID1139328

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID1140

Toluene

C7H8

HCID8028

Tetrahydrofuran

C4H8O

2 次

HCID10426

Carbonochloridic acid, trichloromethyl ester

C2Cl4O2

HCID81531

Diisopropylethylamine

C8H19N

结构：CC(C)(C)CC(NC(=O)C(N)c1ccc(OCCOC(C)(C)C)cc1)C(=O)Nc1ccc(I)cc1F

HCID178444858

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)CC(C(=O)Nc1ccc(I)cc1F)N1C(=O)NC(c2ccc(OCCOC(C)(C)C)cc2)C1=O

HCID178444170

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-69fc4ab1cb6c44a8a0ea832146de27ce
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[CH:57]([N:58]([CH2:59][CH3:60])[CH:61]([CH3:62])[CH3:63])([CH3:64])[CH3:65].[F:21][c:22]1[c:23]([NH:29][C:30]([CH:31]([CH2:32][C:33]([CH3:34])([CH3:35])[CH3:36])[NH:37][C:38]([CH:39]([c:40]2[cH:41][cH:42][c:43]([O:46][CH2:47][CH2:48][O:49][C:50]([CH3:51])([CH3:52])[CH3:53])[cH:44][cH:45]2)[NH2:54])=[O:55])=[O:56])[cH:24][cH:25][c:26]([I:28])[cH:27]1.[O:1]=[C:2]([Cl:3])[O:4][C:5]([Cl:6])([Cl:7])[Cl:8].[O:66]1[CH2:67][CH2:68][CH2:69][CH2:70]1.[O:9]1[CH2:10][CH2:11][CH2:12][CH2:13]1.[OH2:71].[c:14]1([CH3:15])[cH:16][cH:17][cH:18][cH:19][cH:20]1>>[O:1]=[C:2]1[N:37]([CH:31]([C:30]([NH:29][c:23]2[c:22]([F:21])[cH:27][c:26]([I:28])[cH:25][cH:24]2)=[O:56])[CH2:32][C:33]([CH3:34])([CH3:35])[CH3:36])[C:38](=[O:55])[CH:39]([c:40]2[cH:41][cH:42][c:43]([O:46][CH2:47][CH2:48][O:49][C:50]([CH3:51])([CH3:52])[CH3:53])[cH:44][cH:45]2)[NH:54]1