Isopropanol → HCID 59733718, compound

HRID 306245Notes

Reaction equation

HRID 306245 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][c:7]([C:11]2([NH2:30])[CH2:12][c:13]3[cH:14][n:15]([S:20](=[O:21])(=[O:22])[c:23]4[cH:24][cH:25][c:26]([CH3:29])[cH:27][cH:28]4)[n:16][c:17]3[CH2:18][CH2:19]2)[cH:8][cH:9][cH:10]1.[CH:44]([OH:45])([CH3:46])[CH3:47].[F:31][c:32]1[cH:33][c:34]([CH2:39][CH2:40][CH:41]2[O:42][CH2:43]2)[cH:35][c:36]([F:38])[cH:37]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][c:7]([C:11]2([NH:30][CH2:43][CH:41]([CH2:40][CH2:39][c:34]3[cH:33][c:32]([F:31])[cH:37][c:36]([F:38])[cH:35]3)[OH:42])[CH2:12][c:13]3[cH:14][n:15]([S:20](=[O:21])(=[O:22])[c:23]4[cH:24][cH:25][c:26]([CH3:29])[cH:27][cH:28]4)[n:16][c:17]3[CH2:18][CH2:19]2)[cH:8][cH:9][cH:10]1

Participants

4

Reactant 3

HCID 3776IsopropanolHCID 59733723HCID 59733723, compoundHCID 59733737HCID 59733737, compound

Product 1

HCID 59733718HCID 59733718, compound

Sources & evidence

ORD record
ord-33e863f270ef40ad82e3b35a7beed2a2
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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