HRID294403

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID3776

Isopropanol

C3H8O

HCID6344

Dichloromethane

CH2Cl2

HCID7672

Phenyl isocyanate

C7H5NO

结构：CC1(C)OCc2cc(C3CN(CCCCCCOCCOCc4ccc(N)cc4)C(=O)O3)ccc2O1

HCID69327850

未命名化合物

PRODUCTS

生成物

结构：CC1(C)OCc2cc(C3CN(CCCCCCOCCOCc4ccc(NC(=O)Nc5ccccc5)cc4)C(=O)O3)ccc2O1

HCID77195660

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-849fcf375f6240e39c3254ef3cd1517a
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

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