Acetone → HCID 18451130, compound

HRID 1545597Notes

Reaction equation

HRID 1545597 reaction equation
[CH3:54][C:55](=[O:56])[CH3:57].[CH3:58][CH2:59][O:60][C:61](=[O:62])[CH3:63].[ClH:46].[NH2:1][c:2]1[n:3][cH:4][c:5]([C:32]#[C:33][CH2:34][NH:35][CH:36]2[CH2:37][CH2:38][C:39]3([O:40][CH2:43][CH2:42][O:41]3)[CH2:44][CH2:45]2)[c:6]2[c:7]1[c:8](-[c:11]1[cH:12][c:13]([O:30][CH3:31])[c:14]([NH:17][C:18](=[O:19])[c:20]3[n:21]([CH3:29])[c:22]4[cH:23][cH:24][cH:25][cH:26][c:27]4[cH:28]3)[cH:15][cH:16]1)[cH:9][s:10]2.[Na+:47].[Na+:48].[O-:49][C:50](=[O:51])[O-:52].[OH2:53]>>[NH2:1][c:2]1[n:3][cH:4][c:5]([C:32]#[C:33][CH2:34][NH:35][CH:36]2[CH2:37][CH2:38][C:39](=[O:40])[CH2:44][CH2:45]2)[c:6]2[c:7]1[c:8](-[c:11]1[cH:12][c:13]([O:30][CH3:31])[c:14]([NH:17][C:18](=[O:19])[c:20]3[n:21]([CH3:29])[c:22]4[cH:23][cH:24][cH:25][cH:26][c:27]4[cH:28]3)[cH:15][cH:16]1)[cH:9][s:10]2

Participants

8

Reactant 7

HCID 180AcetoneHCID 313Hydrochloric AcidHCID 923Sodium ion2×HCID 962WaterHCID 8857Ethyl AcetateHCID 19660Carbonate IonHCID 18451110HCID 18451110, compound

Product 1

HCID 18451130HCID 18451130, compound

Sources & evidence

ORD record
ord-a4b2d0a8ce854298b88212af980092b1
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

Loading…