Acetonitrile → HCID 21710485, compound

HRID 316808Notes

Reaction equation

HRID 316808 reaction equation
[CH2:1]([CH3:2])[CH:3]([c:4]1[cH:5][cH:6][cH:7][cH:8][cH:9]1)[NH:10][C:11](=[O:12])[c:13]1[c:14]([NH2:29])[c:15](-[c:23]2[cH:24][cH:25][cH:26][cH:27][cH:28]2)[n:16][c:17]2[cH:18][cH:19][cH:20][cH:21][c:22]12.[CH2:30]1[O:31][CH2:32][CH2:33][CH2:34]1.[CH3:35][C:36]#[N:37].[Cl:47][CH2:48][Cl:49].[c:38]1([N:44]=[C:45]=[O:46])[cH:39][cH:40][cH:41][cH:42][cH:43]1>>[CH2:1]([CH3:2])[CH:3]([c:4]1[cH:5][cH:6][cH:7][cH:8][cH:9]1)[NH:10][C:11](=[O:12])[c:13]1[c:14]([NH:29][C:45]([NH:44][c:38]2[cH:39][cH:40][cH:41][cH:42][cH:43]2)=[O:46])[c:15](-[c:23]2[cH:24][cH:25][cH:26][cH:27][cH:28]2)[n:16][c:17]2[cH:18][cH:19][cH:20][cH:21][c:22]12

Participants

6

Reactant 5

HCID 6342AcetonitrileHCID 6344DichloromethaneHCID 7672Phenyl isocyanateHCID 8028TetrahydrofuranHCID 10177878HCID 10177878, compound

Product 1

HCID 21710485HCID 21710485, compound

Sources & evidence

ORD record
ord-f23c363e7c1347ffac7cd4512b02d998
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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