Water → HCID 178475462, compound

HRID 1231454Notes

Reaction equation

HRID 1231454 reaction equation
[C:1]([CH3:2])(=[O:3])[O:4][CH:5]1[CH:6]([n:12]2[c:13]3[n:14][cH:15][n:16][c:17]([NH:21][CH:22]4[CH2:23][CH2:24][c:25]5[cH:26][cH:27][cH:28][cH:29][c:30]54)[c:18]3[n:19][cH:20]2)[O:7][CH:8]([CH2:10][OH:11])[CH2:9]1.[CH3:31][CH2:32][N:33]([CH2:34][CH3:35])[CH2:36][CH3:37].[CH3:48][C:49]#[N:50].[CH3:51][CH2:52][O:53][C:54]([CH3:55])=[O:56].[Cl:38][S:39](=[O:40])(=[O:41])[NH2:42].[O:43]=[CH:44][N:45]([CH3:46])[CH3:47].[OH2:57]>>[C:1]([CH3:2])(=[O:3])[O:4][CH:5]1[CH:6]([n:12]2[c:13]3[n:14][cH:15][n:16][c:17]([NH:21][CH:22]4[CH2:23][CH2:24][c:25]5[cH:26][cH:27][cH:28][cH:29][c:30]54)[c:18]3[n:19][cH:20]2)[O:7][CH:8]([CH2:10][O:11][S:39](=[O:40])(=[O:41])[NH2:42])[CH2:9]1

Participants

8

Reactant 7

HCID 962WaterHCID 6228DimethylformamideHCID 6342AcetonitrileHCID 8471TriethylamineHCID 8857Ethyl AcetateHCID 24499Chlorosulfamic acidHCID 178475458HCID 178475458, compound

Product 1

HCID 178475462HCID 178475462, compound

Sources & evidence

ORD record
ord-248f1bcff7964594a426e85330a95097
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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