Ammonia → HCID 178430597, compound

HRID 1134626Notes

Reaction equation

HRID 1134626 reaction equation
[CH3:45][C:46]#[N:47].[Cl:1][c:2]1[cH:3][cH:4][cH:5][c:6]([C:7]([O:8][OH:10])=[O:9])[cH:11]1.[Cl:48][CH2:49][Cl:50].[N:12]1([c:18]2[c:19]([Cl:43])[c:20]([CH2:25][S:26][c:27]3[n:28][c:29]4[c:30]([nH:31]3)[cH:32][cH:33][c:34]([O:36][C:37]([CH:38]([F:39])[F:40])([F:41])[F:42])[cH:35]4)[n:21][cH:22][c:23]2[CH3:24])[CH2:13][CH2:14][CH2:15][CH2:16][CH2:17]1.[NH3:44]>>[O:9]=[S:26]([CH2:25][c:20]1[c:19]([Cl:43])[c:18]([N:12]2[CH2:13][CH2:14][CH2:15][CH2:16][CH2:17]2)[c:23]([CH3:24])[cH:22][n:21]1)[c:27]1[n:28][c:29]2[c:30]([nH:31]1)[cH:32][cH:33][c:34]([O:36][C:37]([CH:38]([F:39])[F:40])([F:41])[F:42])[cH:35]2

Participants

6

Reactant 5

HCID 222AmmoniaHCID 6342AcetonitrileHCID 6344DichloromethaneHCID 70297m-Chloroperbenzoic acidHCID 178430596HCID 178430596, compound

Product 1

HCID 178430597HCID 178430597, compound

Sources & evidence

ORD record
ord-09f2f286a3fc4f5cb2c94c3708aa6272
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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