Benzenemethanamine, 4-bromo-N,N-bis(2-chloroethyl)- (9CI) → HCID 11410214, compound
Reaction equation
[Br:22][c:23]1[cH:24][cH:25][c:26]([CH2:27][N:28]([CH2:29][CH2:30][Cl:34])[CH2:32][CH2:33][Cl:31])[cH:35][cH:36]1.[CH2:1]([CH3:2])[O:3][C:4]([CH2:5][S:6](=[O:7])(=[O:8])[c:9]1[cH:10][cH:11][c:12]([O:15][CH2:16][C:17]#[C:18][CH2:19][CH3:20])[cH:13][cH:14]1)=[O:21]>>[CH2:1]([CH3:2])[O:3][C:4]([C:5]1([S:6](=[O:7])(=[O:8])[c:9]2[cH:10][cH:11][c:12]([O:15][CH2:16][C:17]#[C:18][CH2:19][CH3:20])[cH:13][cH:14]2)[CH2:30][CH2:29][N:28]([CH2:27][c:26]2[cH:25][cH:24][c:23]([Br:22])[cH:36][cH:35]2)[CH2:32][CH2:33]1)=[O:21]Participants
3
Sources & evidence
- ORD record
- ord-76d67a60e0044d05a856324209fe36f4
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
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