Bromide ion → HCID 178495201, compound

HRID 2143164Notes

Reaction equation

HRID 2143164 reaction equation
[Br-:53].[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([CH:9]2[CH2:10][CH:11]([CH2:42][CH:43]([CH3:44])[NH2:45])[N:12]([S:32](=[O:33])(=[O:34])[c:35]3[cH:36][cH:37][c:38]([CH3:41])[cH:39][cH:40]3)[CH2:13][CH:14]2[O:15][CH2:16][c:17]2[cH:18][cH:19][c:20]3[c:21]([cH:31]2)[N:22]([CH2:26][CH2:27][CH2:28][O:29][CH3:30])[CH2:23][CH2:24][O:25]3)[cH:7][cH:8]1.[CH3:46][CH2:47][N:48]([CH2:49][CH3:50])[CH2:51][CH3:52].[Cl:69][CH2:70][Cl:71].[N:54]#[C:55][C:56]#[N:57].[c:58]1([CH3:68])[cH:59][cH:60][c:61]([S:64](=[O:65])(=[O:66])[Cl:67])[cH:62][cH:63]1>>[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([CH:9]2[CH2:10][CH:11]([CH2:42][CH:43]([CH3:44])[N:45]([C:56]#[N:57])[S:64]([c:61]3[cH:60][cH:59][c:58]([CH3:68])[cH:63][cH:62]3)(=[O:65])=[O:66])[N:12]([S:32](=[O:33])(=[O:34])[c:35]3[cH:36][cH:37][c:38]([CH3:41])[cH:39][cH:40]3)[CH2:13][CH:14]2[O:15][CH2:16][c:17]2[cH:18][cH:19][c:20]3[c:21]([cH:31]2)[N:22]([CH2:26][CH2:27][CH2:28][O:29][CH3:30])[CH2:23][CH2:24][O:25]3)[cH:7][cH:8]1

Participants

7

Reactant 6

HCID 259Bromide ionHCID 6344DichloromethaneHCID 73974-Toluenesulfonyl chlorideHCID 8471TriethylamineHCID 9999CyanogenHCID 178495198HCID 178495198, compound

Product 1

HCID 178495201HCID 178495201, compound

Sources & evidence

ORD record
ord-de9d5f89206d4b8fa5fef40c5d19de56
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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