Acetonitrile → HCID 18762778, compound

HRID 1223864Notes

Reaction equation

HRID 1223864 reaction equation
[Br:6][c:7]1[cH:8][c:9]([NH:13][c:14]2[n:15][cH:16][n:17][c:18]3[cH:19][c:20]([O:40][CH3:41])[c:21]([O:24][CH2:25][CH2:26][N:27]([CH2:28][CH:31]([OH:38])[CH3:39])[CH2:32][C:33](=[O:34])[O:35][C:36]([CH3:29])([CH3:30])[CH3:37])[cH:22][c:23]23)[cH:10][cH:11][cH:12]1.[CH3:1][S:2](=[O:3])(=[O:4])[OH:5].[CH3:42][C:43]#[N:44].[CH3:45][CH2:46][O:47][C:48](=[O:49])[CH3:50]>>[Br:6][c:7]1[cH:8][c:9]([NH:13][c:14]2[n:15][cH:16][n:17][c:18]3[cH:19][c:20]([O:40][CH3:41])[c:21]([O:24][CH2:25][CH2:26][N:27]4[CH2:28][CH:36]([CH3:37])[O:35][C:33](=[O:34])[CH2:32]4)[cH:22][c:23]23)[cH:10][cH:11][cH:12]1

Participants

5

Reactant 4

HCID 6342AcetonitrileHCID 6395Methanesulfonic AcidHCID 8857Ethyl AcetateHCID 18762734HCID 18762734, compound

Product 1

HCID 18762778HCID 18762778, compound

Sources & evidence

ORD record
ord-685a71edae914414a2428b01c07b641a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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