Chloride → HCID 66690768, compound

HRID 213748Notes

Reaction equation

HRID 213748 reaction equation
[CH2:37]([N:38]([CH2:39][CH3:40])[CH2:41][CH3:42])[CH3:43].[CH3:57][C:58]#[N:59].[CH3:61][CH2:62][N:63]([CH2:64][CH3:65])[CH2:66][CH3:67].[CH:1]1([NH:4][C:5]([c:6]2[cH:7][c:8]([F:34])[c:9]([CH3:33])[c:10](-[n:12]3[c:13](=[O:32])[c:14]([NH:18][C:19]([CH3:20])([CH3:21])[c:22]4[c:23]([S:28][CH2:29][CH2:30][OH:31])[cH:24][cH:25][cH:26][cH:27]4)[n:15][cH:16][cH:17]3)[cH:11]2)=[O:35])[CH2:2][CH2:3]1.[Cl-:56].[ClH:36].[Li+:55].[OH2:60].[c:44]1([CH3:45])[cH:46][cH:47][c:48]([S:49](=[O:50])(=[O:51])[Cl:53])[cH:52][cH:54]1>>[CH:1]1([NH:4][C:5]([c:6]2[cH:7][c:8]([F:34])[c:9]([CH3:33])[c:10](-[n:12]3[c:13](=[O:32])[c:14]([NH:18][C:19]([CH3:20])([CH3:21])[c:22]4[c:23]([S:28][CH2:29][CH2:30][Cl:53])[cH:24][cH:25][cH:26][cH:27]4)[n:15][cH:16][cH:17]3)[cH:11]2)=[O:35])[CH2:2][CH2:3]1

Participants

9

Reactant 8

HCID 312ChlorideHCID 313Hydrochloric AcidHCID 962WaterHCID 6342AcetonitrileHCID 73974-Toluenesulfonyl chlorideHCID 8471Triethylamine2×HCID 28486Lithium ionHCID 66688879HCID 66688879, compound

Product 1

HCID 66690768HCID 66690768, compound

Sources & evidence

ORD record
ord-f050c1f5ee854f8e8943fa1692300a9f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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