Isopropanol → HCID 58267939, compound

HRID 1569108Notes

Reaction equation

HRID 1569108 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][c:7]([NH:10][C:11](=[O:12])[NH:13][c:14]2[cH:15][c:16]([OH:20])[cH:17][cH:18][cH:19]2)[n:8][o:9]1.[C:42](=[O:43])([O-:44])[O-:45].[CH:48]([OH:49])([CH3:50])[CH3:51].[Cl:21][c:22]1[n:23][cH:24][n:25][c:26]2[cH:27][c:28]([O:37][CH2:38][CH2:39][O:40][CH3:41])[c:29]([O:32][CH2:33][CH2:34][O:35][CH3:36])[cH:30][c:31]12.[Cs+:46].[Cs+:47]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][c:7]([NH:10][C:11](=[O:12])[NH:13][c:14]2[cH:15][c:16]([O:20][c:22]3[n:23][cH:24][n:25][c:26]4[cH:27][c:28]([O:37][CH2:38][CH2:39][O:40][CH3:41])[c:29]([O:32][CH2:33][CH2:34][O:35][CH3:36])[cH:30][c:31]34)[cH:17][cH:18][cH:19]2)[n:8][o:9]1

Participants

6

Reactant 5

HCID 3776IsopropanolHCID 19660Carbonate IonHCID 104967Cesium cation2×HCID 112899424-Chloro-6,7-bis(2-methoxyethoxy)quinazolineHCID 668765951-(5-Tert-butylisoxazol-3-yl)-3-(3-hydroxyphenyl)urea

Product 1

HCID 58267939HCID 58267939, compound

Sources & evidence

ORD record
ord-63bd76c61c6b49c7815811b8e8cd0f8d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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