Acetone → HCID 53906025, compound

HRID 147412Notes

Reaction equation

HRID 147412 reaction equation
[CH2:2]([CH3:3])[O:4][C:5](=[O:6])[CH2:7][N:8]([c:9]1[cH:10][c:11]2[c:12]([n:13]([CH3:26])[c:14]([CH2:16][c:17]3[cH:18][cH:19][c:20]([C:21](=[NH:22])[NH2:23])[cH:24][cH:25]3)[n:15]2)[cH:27][cH:28]1)[S:29](=[O:30])(=[O:31])[c:32]1[cH:33][cH:34][cH:35][c:36]2[cH:37][cH:38][cH:39][n:40][c:41]12.[CH3:54][C:55]([CH3:56])=[O:57].[Cl:42][C:43](=[O:44])[O:45][CH2:46][c:47]1[cH:48][cH:49][cH:50][cH:51][cH:52]1.[ClH:1].[OH2:53]>>[CH2:2]([CH3:3])[O:4][C:5](=[O:6])[CH2:7][N:8]([c:9]1[cH:10][c:11]2[c:12]([n:13]([CH3:26])[c:14]([CH2:16][c:17]3[cH:18][cH:19][c:20]([C:21](=[N:22][C:43](=[O:44])[O:45][CH2:46][c:47]4[cH:48][cH:49][cH:50][cH:51][cH:52]4)[NH2:23])[cH:24][cH:25]3)[n:15]2)[cH:27][cH:28]1)[S:29](=[O:30])(=[O:31])[c:32]1[cH:33][cH:34][cH:35][c:36]2[cH:37][cH:38][cH:39][n:40][c:41]12

Participants

6

Reactant 5

HCID 180AcetoneHCID 313Hydrochloric AcidHCID 962WaterHCID 10387Benzyl chloroformateHCID 15429341HCID 15429341, compound

Product 1

HCID 53906025HCID 53906025, compound

Sources & evidence

ORD record
ord-03e321dddbe14c2fa8d1b21630c3615e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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